SCHEMBL6097762

SCHEMBL6097762

O=C(N[C@@H](Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)O)c1cc(-c2cccc(C(F)(F)F)c2)ccc1O

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIFC1 Q9BW19 7/20 0.66
CDK2 P24941 4/20 0.59
GPR34 Q9UPC5 1/20 0.56
ITGB1 P05556 2/20 0.54
ITGA4 P13612 2/20 0.54
MME P08473 1/20 0.52
MRGPRX4 Q96LA9 1/20 0.49
FPR2 P25090 1/20 0.48
ITGB7 P26010 1/20 0.48
PPARG P37231 1/20 0.47
ACP3 P15309 1/20 0.47
GPR132 Q9UNW8 1/20 0.47

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
SCHEMBL6097847 0.98 KIFC1 (0.68) KIFC1CDK2GPR34ITGB1ITGA4
SCHEMBL6098431 0.97 KIFC1 (0.69) KIFC1CDK2GPR34ITGB1ITGA4
SCHEMBL5927352 0.95 KIFC1 (0.61) KIFC1CDK2GPR34ITGB1ITGA4
SCHEMBL3972237 0.90 KIFC1 (0.59) KIFC1CDK2GPR34ITGB1ITGA4
SCHEMBL4824086 0.90 KIFC1 (0.59) KIFC1CDK2GPR34ITGB1ITGA4
SCHEMBL6100710 0.89 KIFC1 (0.56) KIFC1CDK2GPR34ITGB1ITGA4
SCHEMBL4831769 0.89 CDK2 (0.60) KIFC1CDK2GPR34MME
SCHEMBL5927451 0.89 CDK2 (0.60) KIFC1CDK2GPR34MME
SCHEMBL4831774 0.89 CDK2 (0.60) KIFC1CDK2GPR34MME
SCHEMBL8337371 0.88 KIFC1 (0.52) KIFC1CDK2GPR34MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122580-B2 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. (US) 2006-10-17 US disclosed