SCHEMBL9788997

SCHEMBL9788997

CCCc1ccc(CC(C#N)C(=O)OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
ACACB O00763 3/20 0.45
PLK1 P53350 1/20 0.41
ANPEP P15144 3/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
MAPK1 P28482 1/20 0.39
THRB P10828 1/20 0.39
ALDH1A1 P00352 2/20 0.38
POLB P06746 3/20 0.38
CTDSP1 Q9GZU7 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 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
SCHEMBL28384249 0.84 ATM (0.46) ACACBANPEPESR1ESR2PPARG
SCHEMBL433224 0.84 ESR1 (0.58) ANPEPESR1ESR2ALDH1A1
SCHEMBL12321430 0.83 CTSC (0.49) ACACBANPEPESR1ESR2PPARG
SCHEMBL31474258 0.83 NOS2 (0.48) ANPEPESR1ESR2PPARGMAPK1
SCHEMBL11925791 0.83 NLRP3 (0.47) ANPEPESR1ESR2MAPK1ALDH1A1
SCHEMBL10523997 0.83 ANPEP (0.57) ANPEPTHRBALDH1A1POLB
SCHEMBL6817504 0.82 PPARG (0.44) ACACBPPARGPPARAALDH1A1KDM4E
SCHEMBL10536462 0.81 ALDH1A1 (0.47) ACACBANPEPESR1ESR2MAPK1
SCHEMBL21763387 0.81 ANPEP (0.52) ACACBANPEPPPARGPPARA
SCHEMBL8416993 0.78 CYP3A4 (0.44) ANPEPESR1ESR2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0259085-B1 2-GUANIDINO-4-ARYLTHIAZOLES FOR TREATMENT OF PEPTIC ULCERS PFIZER INC. (US) 1991-08-21 EP disclosed
US-5026715-A 2-guanidino-4-arylthiazoles for treatment of peptic ulcers PFIZER INC. (US) 1991-06-25 US disclosed
EP-0161841-B1 2-(N-SUBSTITUTEGUANIDINO)-4-HETERO-ARYLTHIAZOLE ANTIULCER AGENTS PFIZER INC. (US) 1989-07-19 EP disclosed
EP-0259085-A1 2-Guanidino-4-arylthiazoles for treatment of peptic ulcers PFIZER INC. (US) 1988-03-09 EP disclosed
US-4560690-A ANTISECRETORY AGENTS, HISTAMINE H2-ANTAGONISTS PFIZER INC. (US) 1985-12-24 US disclosed
EP-0161841-A1 2-(N-substituteguanidino)-4-hetero-arylthiazole antiulcer agents PFIZER INC. (US) 1985-11-21 EP disclosed