SCHEMBL9250797

SCHEMBL9250797

Cn1cc(-c2ccc(CN)cc2)nc1-c1ccc(CCC(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.43
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
SPNS2 Q8IVW8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
FFAR4 Q5NUL3 2/20 0.38
DPP4 P27487 1/20 0.38
DVL1 O14640 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
SCHEMBL9259291 0.93 SPNS2 (0.44) FFAR1CASP3SENP8SENP7SENP6
SCHEMBL9251417 0.89 FFAR1 (0.40) FFAR1CASP3SENP8SENP7SENP6
SCHEMBL9248511 0.87 HRH3 (0.42) CASP3SENP8SENP7SENP6SPNS2
SCHEMBL9251406 0.86 RXRA (0.44) FFAR1CASP3SENP8SENP7SENP6
SCHEMBL9251393 0.86 ITGB3 (0.52) FFAR1CASP3SENP8SENP7SENP6
SCHEMBL9258269 0.86 ITGB3 (0.52) FFAR1CASP3SENP8SENP7SENP6
SCHEMBL9248373 0.86 FFAR1 (0.40) FFAR1CASP3SENP8SENP7SENP6
SCHEMBL9256853 0.85 FFAR1 (0.43) FFAR1CASP3SENP8SENP7SENP6
SCHEMBL9257985 0.85 BRD4 (0.41) FFAR1CASP3SENP8SENP7SENP6
SCHEMBL9254431 0.84 AKT2 (0.44) 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