SCHEMBL4833892

SCHEMBL4833892

O=C(NC(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)O)c1cc2ccccc2cc1O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIFC1 Q9BW19 5/20 0.56
FPR2 P25090 1/20 0.52
CDK2 P24941 1/20 0.51
GPR34 Q9UPC5 1/20 0.50
ITGB1 P05556 1/20 0.50
ITGA4 P13612 1/20 0.50
MME P08473 3/20 0.49
ACE P12821 3/20 0.49
ACE2 Q9BYF1 3/20 0.49
CPA1 P15085 2/20 0.49
GPR132 Q9UNW8 1/20 0.47
ELANE P08246 2/20 0.47
CA2 P00918 1/20 0.47
MCL1 Q07820 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
SCHEMBL4833896 1.00 KIFC1 (0.56) KIFC1FPR2CDK2GPR34ITGB1
SCHEMBL4824898 0.94 KIFC1 (0.57) KIFC1FPR2CDK2GPR34ITGB1
SCHEMBL5926558 0.91 MME (0.57) ITGB1ITGA4MMEACEACE2
SCHEMBL27611059 0.91 MME (0.57) ITGB1ITGA4MMEACEACE2
SCHEMBL5927352 0.89 KIFC1 (0.61) KIFC1FPR2CDK2GPR34ITGB1
SCHEMBL6400298 0.89 KDR (0.56) KIFC1CDK2ELANE
SCHEMBL6400300 0.89 KDR (0.56) KIFC1CDK2ELANE
SCHEMBL4831835 0.88 FPR2 (0.56) KIFC1FPR2GPR34MMEACE
SCHEMBL4831843 0.88 FPR2 (0.56) KIFC1FPR2GPR34MMEACE
SCHEMBL4831583 0.85 KIFC1 (0.47) KIFC1CDK2

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-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 US disclosed