SCHEMBL7213152

SCHEMBL7213152

C[C@@H]([C]=O)Nc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.56
ALDH1A1 P00352 5/20 0.48
HSD17B10 Q99714 5/20 0.48
TSHR P16473 3/20 0.48
CYP3A4 P08684 2/20 0.48
ALOX15 P16050 2/20 0.48
ALOX12 P18054 2/20 0.48
LMNA P02545 1/20 0.48
THRB P10828 1/20 0.48
RECQL P46063 1/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 2/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
KDM4E B2RXH2 1/20 0.39
KCNH3 Q9ULD8 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL946382 1.00 TDP1 (0.56) TDP1ALDH1A1HSD17B10TSHRCYP3A4
SCHEMBL9843461 0.80 CA1 (0.47) TDP1ALDH1A1HSD17B10TSHRCYP3A4
SCHEMBL10696690 0.80 GAA (0.47) TDP1ALDH1A1HSD17B10TSHRCYP3A4
SCHEMBL10521871 0.78 GAA (0.44) CYP3A4L3MBTL1GAAMAPK1KDM4E
SCHEMBL674003 0.78 MEN1 (0.43) TDP1ALDH1A1HSD17B10TSHRCYP3A4
SCHEMBL10521875 0.78 GAA (0.44) CYP3A4L3MBTL1GAAMAPK1KDM4E
SCHEMBL141473 0.77 TDP1 (0.56) TDP1ALDH1A1HSD17B10TSHRCYP3A4
SCHEMBL965457 0.77 TDP1 (0.56) TDP1ALDH1A1HSD17B10TSHRCYP3A4
SCHEMBL4624736 0.77 FDPS (0.51) ALDH1A1CYP3A4LMNAHIF1AKDM4E
SCHEMBL1713201 0.77 RAB9A (0.47) ALDH1A1HSD17B10CYP3A4LMNAATM

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5122511-A IMMUNOSUPPRESSIVE CYCLOSPORIN ANALOGS WITH MODIFIED AMINO ACIDS AT POSITION-8 MERCK & CO., INC. (US) 1992-06-16 US claimed
EP-0444897-A1 Novel immunosuppressive cyclosporin analogs with modified amino acids at position-8 MERCK & CO. INC. (US) 1991-09-04 EP claimed
EP-0149581-B1 COMPOSITIONS CONTAINING OLIGO-MURAMYLPEPTIDES AND THEIR APPLICATION, IN PARTICULAR FOR THE ACTIVATION OF MACROPHAGES ANVAR Agence Nationale de Valorisation de la Recherche (FR) 1987-07-22 EP claimed
US-4663311-A Derivatives of muramyl-peptides and of steroids having macrophage-activating properties TENU JEAN P (FR) 1987-05-05 US claimed
US-6617127-B2 Using N-formylaspartylphenylalanine compound HOLLAND SWEETENER COMPANY, V.O.F. (NL) 2003-09-09 US disclosed
US-6579696-B1 Comprising diaminobutyric acid having a gamma amino group and amino acid selected from cysteine, alanine and lysine; use in prevention and treatment of sepsis PROMEGA CORPORATION 2003-06-17 US disclosed
EP-0698600-B1 Composition, method and test device for determining the presence of leukocyte cells, esterase or protease in a test sample BAYER AG (US) 1999-11-10 EP disclosed
EP-0840619-A1 PREVENTION AND TREATMENT OF SEPSIS OPHIDIAN PHARMACEUTICALS, INC. (US) 1998-05-13 EP disclosed
US-5663297-A OLIGOPEPTIDES HOFFMANN-LA ROCHE INC. (US) 1997-09-02 US disclosed
WO-1996040251-A1 PREVENTION AND TREATMENT OF SEPSIS OPHIDIAN PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed
EP-0698600-A1 Composition, method and test device for determining the presence of leukocyte cells, esterase or protease in a test sample Bayer Corporation (US) 1996-02-28 EP disclosed
US-5464739-A Urinalysis, hydrolysis of lactate ester BAYER CORPORATION (US) 1995-11-07 US disclosed
US-5214130-A Synthesis of novel immunosuppressive cyclosporin analogs with modified amino acids at position-8 MERCK & CO., INC. (US) 1993-05-25 US disclosed
US-5122511-A IMMUNOSUPPRESSIVE CYCLOSPORIN ANALOGS WITH MODIFIED AMINO ACIDS AT POSITION-8 MERCK & CO., INC. (US) 1992-06-16 US disclosed
EP-0444897-A1 Novel immunosuppressive cyclosporin analogs with modified amino acids at position-8 MERCK & CO. INC. (US) 1991-09-04 EP disclosed
US-4647553-A Gonadoliberin derivatives and process for the preparation thereof INNOVACIOS ALAP KOZPONTI VALTO ES HITELBANK RT. (HU) 1987-03-03 US disclosed
US-4647553-A Gonadoliberin derivatives and process for the preparation thereof INNOVACIOS ALAP KOZPONTI VALTO ES HITELBANK RT. (HU) 1987-03-03 US disclosed
US-4647552-A Process for obtaining ready for fertilization sexual products from sexually mature fish KOZPONTI VALTO-ES HITELBANK RT. INNOVACIOS ALAP (HU) 1987-03-03 US disclosed
US-4647552-A Process for obtaining ready for fertilization sexual products from sexually mature fish KOZPONTI VALTO-ES HITELBANK RT. INNOVACIOS ALAP (HU) 1987-03-03 US disclosed