SCHEMBL498627

SCHEMBL498627

CCCCN(CCC)C(C)=O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.54
CA9 Q16790 6/20 0.54
CA1 P00915 5/20 0.54
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP3 P08254 1/20 0.50
MMP8 P22894 1/20 0.50
CA2 P00918 4/20 0.46
SIGMAR1 Q99720 2/20 0.44
ALDH1A1 P00352 2/20 0.43
ALDH2 P05091 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HPGD P15428 2/20 0.40
TP53 P04637 1/20 0.39
CES1 P23141 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL497913 0.95 CA12 (0.58) CA12CA9CA1MMP1MMP2
SCHEMBL11506431 0.93 CA12 (0.46) CA12CA9CA1MMP1MMP2
Hydrochloric Acid SCHEMBL3023639 0.92 CA12 (0.56) CA12CA9CA1MMP1MMP2
SCHEMBL17145397 0.91 CA12 (0.48) CA12CA9CA1MMP1MMP2
SCHEMBL22540532 0.91 CA12 (0.48) CA12CA9CA1MMP1MMP2
SCHEMBL16564665 0.91 CA12 (0.48) CA12CA9CA1MMP1MMP2
SCHEMBL5087415 0.91 CA12 (0.48) CA12CA9CA1MMP1MMP2
SCHEMBL13055373 0.90 CA12 (0.54) CA12CA9CA1MMP1MMP2
SCHEMBL483128 0.89 CA12 (0.55) CA12CA9CA1MMP1MMP2
SCHEMBL7895006 0.88 CA12 (0.52) CA12CA9CA1MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4844717-A KETONE AND AMIDE UNION OIL COMPANY OF CALIFORNIA (US) 1989-07-04 US claimed
US-4743273-A AMIDE AND KETONE, ANTIDEPOSIT AGENTS UNION OIL COMPANY OF CALIFORNIA (US) 1988-05-10 US claimed
EP-4697957-A1 COMPOSITION COMPRISING AN ANTIMICROBIAL AGENT AND AN ALKOXYLATED AMINE BASF SE (DE) 2026-02-25 EP disclosed
WO-2024218124-A1 COMPOSITION COMPRISING AN ANTIMICROBIAL AGENT AND AN ALKOXYLATED AMINE BASF SE (DE) 2024-10-24 WO disclosed
EP-2850086-B1 HETEROARYLCYANINE DYES PACIFIC BIOSCIENCES CALIFORNIA INC (US) 2023-07-05 EP disclosed
EP-3587406-B1 2-HYDROXY-1-{4-[(4-PHENYLPHENYL)CARBONYL]PIPERAZIN-1-YL}ETHAN-1-ONE DERIVATIVES AND RELATED COMPOUNDS AS FATTY ACID SYNTHASE (FASN) INHIBITORS FOR THE TREATMENT OF CANCER FORMA THERAPEUTICS INC (US) 2021-01-27 EP disclosed
EP-3452172-A1 COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTION IN MAMMALS Yale University (US) 2019-03-13 EP disclosed
EP-3327021-A1 JANUS KINASE 1 SELECTIVE INHIBITOR AND PHARMACEUTICAL USE THEREOF Yangji Chemical Co., Ltd. (KR) 2018-05-30 EP disclosed
WO-2017192799-A1 COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTION IN MAMMALS YALE UNIVERSITY (US) 2017-11-09 WO disclosed
WO-2017100201-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2017-06-15 WO disclosed
EP-2220061-B1 SPIRO-CONDENSED 1, 3, 4-THIADIAZOLE DERIVATIVES FOR INHIBITING KSP KINESIN ACTIVITY MERCK SHARP & DOHME (US) 2016-02-17 EP disclosed
EP-0777658-B1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AG (DE) 1999-12-15 EP disclosed
EP-0958292-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-11-24 EP disclosed
US-5885934-A HERBICIDES OR FOR THE DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 1999-03-23 US disclosed
WO-1998031682-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-07-23 WO disclosed
WO-1996005179-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1996-02-22 WO disclosed
CN-1110967-A Chloropyridinium chlorides and process for their preparation BAYER AG (DE) 1995-11-01 CN disclosed
US-5306725-A Mixed solvent of glycol-type compound and amide-type compound KATAYAMA CHEMICAL INC. (JP) 1994-04-26 US disclosed
US-4844717-A KETONE AND AMIDE UNION OIL COMPANY OF CALIFORNIA (US) 1989-07-04 US disclosed
US-4743273-A AMIDE AND KETONE, ANTIDEPOSIT AGENTS UNION OIL COMPANY OF CALIFORNIA (US) 1988-05-10 US disclosed