SCHEMBL9256853

SCHEMBL9256853

CNCc1ccc(-c2cn(C)c(-c3ccc(CCC(=O)O)cc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.43
FFAR4 Q5NUL3 2/20 0.42
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
PARP1 P09874 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 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
SCHEMBL9250844 0.88 HRH3 (0.42) CASP3SENP8SENP7SENP6NPC1
SCHEMBL9250797 0.85 FFAR1 (0.43) FFAR1FFAR4CASP3SENP8SENP7
SCHEMBL9259291 0.85 SPNS2 (0.44) FFAR1FFAR4CASP3SENP8SENP7
SCHEMBL9257985 0.83 BRD4 (0.41) FFAR1CASP3SENP8SENP7SENP6
SCHEMBL9251417 0.82 FFAR1 (0.40) FFAR1FFAR4CASP3SENP8SENP7
SCHEMBL9251393 0.81 ITGB3 (0.52) FFAR1CASP3SENP8SENP7SENP6
SCHEMBL9251406 0.81 RXRA (0.44) FFAR1CASP3SENP8SENP7SENP6
SCHEMBL9258269 0.81 ITGB3 (0.52) FFAR1CASP3SENP8SENP7SENP6
SCHEMBL9248373 0.81 FFAR1 (0.40) FFAR1FFAR4CASP3SENP8SENP7
SCHEMBL9254431 0.80 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