Hexanoate

Hexanoate

SCHEMBL7078304

CCCCCC(=O)O.N#N

nearest known ligand 0.89

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.89
GPR84 Q9NQS5 7/20 0.84
PPARG P37231 7/20 0.84
PPARD Q03181 7/20 0.84
PPARA Q07869 7/20 0.84
HDAC11 Q96DB2 5/20 0.84
TSHR P16473 4/20 0.84
PTPN1 P18031 3/20 0.84
FABP4 P15090 3/20 0.84
ALDH1A1 P00352 2/20 0.84
TLR2 O60603 2/20 0.84
TDP1 Q9NUW8 2/20 0.84
KMT2A Q03164 2/20 0.84
ALOX15 P16050 2/20 0.84
HSD17B10 Q99714 2/20 0.84
SLC22A6 Q4U2R8 1/20 0.84
SLC22A8 Q8TCC7 1/20 0.84
MEN1 O00255 1/20 0.84
ESR1 P03372 1/20 0.84
PDE4A P27815 1/20 0.84

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hexanoate SCHEMBL9856858 0.97
Myristic Acid SCHEMBL28656242 0.94 GPR84 (0.94) AKR1B1GPR84PPARGPPARDPPARA
Palmitic Acid SCHEMBL27513709 0.94 GPR84 (0.94) AKR1B1GPR84PPARGPPARDPPARA
Dodecanoate SCHEMBL27496427 0.94 GPR84 (0.94) AKR1B1GPR84PPARGPPARDPPARA
Stearic Acid SCHEMBL20658928 0.94 GPR84 (0.94) AKR1B1GPR84PPARGPPARDPPARA
Hexanoate SCHEMBL1330703 0.94
Hexanoate SCHEMBL29695652 0.94
Adipic Acid SCHEMBL2065667 0.94 AKR1B1 (1.00) AKR1B1GPR84PPARGPPARDPPARA
Adipic Acid SCHEMBL31546519 0.94 AKR1B1 (1.00) AKR1B1GPR84PPARGPPARDPPARA
Hexanoate SCHEMBL4619316 0.94 AKR1B1 (1.00) AKR1B1GPR84PPARGPPARDPPARA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6682896-B1 ISOLATED POLYCLONAL ANTIBODY HAVING NEUTRALIZING BINDING AFFINITY FOR SAID PEPTIDES; DIAGNOSTIC OR PROGNOSTIC ASSAY WHERE PATIENT RECEIVING IFN-BETA THERAPY CAN BE ASSESSED FOR PRODUCTION OF IFN-BETA NEUTRALIZING ANTIBODIES SCHERING AKTIENGESELLSCHAFT (DE) 2004-01-27 US disclosed
US-6268472-B1 ANTIGENIC PEPTIDE HAVING SEQUENCE IDENTITY WITH P17 GAG PROTEIN OF HUMAN IMMUNODEFICIENCY VIRUS; VACCINES AGAINST ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS) CEL SCI CORPORATION 2001-07-31 US disclosed
US-6258945-B1 NUCLEIC ACID WHICH CODES FOR PEPTIDE OF DEFINED AMINO ACID SEQUENCE; FOR DIAGNOSIS, VACCINES, AND THERAPY OF HUMAN IMMUNODEFICIENCY VIRUS VIRAL TECHNOLOGIES INC 2001-07-10 US disclosed
US-6111068-A FROM THE P-17 GAG PROTEIN OF HUMAN IMMUNODEFICIENCY VIRUS; DIAGNOSIS; VACCINES; VIRICIDES; PROPHYLAXIS AND THERAPY FOR TREATING OR SUPPRESSING ACQUIRED IMMUNE DEFICIENCY SYNDROME VIRAL TECHNOLOGIES, INC. (US) 2000-08-29 US disclosed
US-6093400-A CAPABLE OF INDUCING IMMUNE RESPONSE WHEN ADMINISTERED TO A PERSON SUFFERING FROM AIDS OR AT RISK FOR AIDS CEL SCI CORPORATION (US) 2000-07-25 US disclosed
EP-0969864-A1 HIV P-17 PEPTIDE FRAGMENT, COMPOSITIONS CONTAINING AND METHODS FOR PRODUCING AND USING SAME Viral Technologies, Inc. (US) 2000-01-12 EP disclosed
US-6010864-A Peptides representing epitopic sites on r-IFN-β,antibodies thereto, and uses thereof SCHERING AKTIENGELLSCHAFT (DE) 2000-01-04 US disclosed
US-5869603-A AMINO ACID SEQUENCES OF SYNTHETIC PEPTIDES BINDING TO NEUTRALIZING ANTIBODIES AGAINST RECOMBINANT INTERFERON-BETA; FOR DETECTION AND INHIBITION OF ANTIBODIES IN PATIENTS SCHERING AKTIENGESELLSCHAFT (DE) 1999-02-09 US disclosed
WO-1998006429-A1 HIV P-17 PEPTIDE FRAGMENT, COMPOSITIONS CONTAINING AND METHODS FOR PRODUCING AND USING SAME VIRAL TECHNOLOGIES, INC. (US) 1998-02-19 WO disclosed
US-5702707-A A POLYPEPTIDE INCLUDING AMINO ACID SEQUENCE EXTENDING FROM POSITION 92 TO 109 OF P17 GAG PROTEIN OF HIV-1, TOTAL NUMBER OF AMINO ACID DOES NOT EXCEED ABOUT 40; BASIS FOR VACCINE VIRAL TECHNOLOGIES, INC. (US) 1997-12-30 US disclosed
US-4804746-A ADMINISTERING A DECAPEPTIDE AS A HAPTEN WITH A CARRIER AND A HAPTEN-CARRIER BINDER JAPANESE FOUNDATION FOR CANCER RESEARCH (JP) 1989-02-14 US disclosed
EP-0294390-A1 PEPTIDES AFFECTING BLOOD PRESSURE REGULATION TRITON BIOSCIENCES INC. (US) 1988-12-14 EP disclosed
US-4772684-A HYPOTENSIVE OR HYPERTENSIVE TRITON BIOSCIENCES, INC. (US) 1988-09-20 US disclosed
EP-0246829-A2 HTLV-III virus related peptides, antibodies to the peptides, vaccines, passive and active immunization against AIDS virus and diagnostic test for the serological detection of the AIDS virus VIRAL TECHNOLOGIES, INC. (US) 1987-11-25 EP disclosed
WO-1987005029-A2 PEPTIDES AFFECTING BLOOD PRESSURE REGULATION TRITON BIOSCIENCES INC (US) 1987-08-27 WO disclosed
WO-1987005029-A1 PEPTIDES AFFECTING BLOOD PRESSURE REGULATION TRITON BIOSCIENCES INC. (US) 1987-08-27 WO disclosed
US-4572800-A ANTIGEN COMPRISING PEPTIDE BOUND TO CARRIER PROTEIN VIA COUPLING AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-02-25 US disclosed
US-4525300-A Human leukemia virus-related peptides, antibodies of the peptides and a process for production of the antibodies JAPANESE FOUNDATION FOR CANCER RESEARCH (JP) 1985-06-25 US disclosed
US-4474754-A Human interferon-related peptides, antigens, antibodies and process for preparing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-10-02 US disclosed
EP-0107053-A2 Human leukemia virus-related peptides, antibodies of the peptides and a process for production of the antibodies JAPANESE FOUNDATION FOR CANCER RESEARCH (JP) 1984-05-02 EP disclosed