SCHEMBL9254431

SCHEMBL9254431

Cn1cc(-c2ccc(C3(N)CC3)cc2)nc1-c1ccc(CCC(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 12/20 0.44
AKT1 P31749 11/20 0.39
FFAR1 O14842 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
SYK P43405 1/20 0.36
DVL1 O14640 1/20 0.36
CYP26A1 O43174 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP26B1 Q9NR63 1/20 0.36

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
SCHEMBL9259539 0.96 AKT2 (0.47) AKT2AKT1HRH3
SCHEMBL9255900 0.89 AKT2 (0.49) AKT2AKT1HRH3SYK
SCHEMBL9257888 0.85 AKT2 (0.51) AKT2AKT1HRH3
SCHEMBL9259291 0.84 SPNS2 (0.44) FFAR1CASP3SENP8SENP7SENP6
SCHEMBL9250797 0.84 FFAR1 (0.43) FFAR1CASP3SENP8SENP7SENP6
SCHEMBL9251417 0.81 FFAR1 (0.40) FFAR1CASP3SENP8SENP7SENP6
SCHEMBL9251393 0.80 ITGB3 (0.52) FFAR1CASP3SENP8SENP7SENP6
SCHEMBL9251406 0.80 RXRA (0.44) FFAR1CASP3SENP8SENP7SENP6
SCHEMBL9258269 0.80 ITGB3 (0.52) FFAR1CASP3SENP8SENP7SENP6
SCHEMBL9248373 0.80 FFAR1 (0.40) FFAR1CASP3SENP8SENP7SENP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5463071-A Tetrazole derivatives; useful for inhibiting undesirable cell aggregation DR. KARL THOMAE GMBH (DE) 1995-10-31 US disclosed
EP-0525629-A2 5-membered heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-02-03 EP disclosed