SCHEMBL6100710

SCHEMBL6100710

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

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIFC1 Q9BW19 7/20 0.56
MME P08473 1/20 0.52
GPR34 Q9UPC5 1/20 0.50
GPR132 Q9UNW8 2/20 0.49
ITGB1 P05556 2/20 0.49
ITGA4 P13612 2/20 0.49
ITGB7 P26010 1/20 0.49
CDK2 P24941 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.45
SLC13A5 Q86YT5 1/20 0.45
FPR2 P25090 2/20 0.45
FFAR2 O15552 1/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43

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
SCHEMBL4831950 0.91 CDK2 (0.51) KIFC1MMEITGB1ITGA4ITGB7
SCHEMBL5927352 0.90 KIFC1 (0.61) KIFC1MMEGPR34GPR132ITGB1
SCHEMBL6097762 0.89 KIFC1 (0.66) KIFC1MMEGPR34GPR132ITGB1
SCHEMBL5926438 0.88 FPR2 (0.57) KIFC1MMEGPR34GPR132ITGB1
SCHEMBL6100601 0.87 ITGB1 (0.52) KIFC1MMEGPR34GPR132ITGB1
SCHEMBL6097847 0.87 KIFC1 (0.68) KIFC1MMEGPR34ITGB1ITGA4
SCHEMBL6098431 0.86 KIFC1 (0.69) KIFC1MMEGPR34ITGB1ITGA4
SCHEMBL6100717 0.84 MME (0.49) MMESLC13A5
SCHEMBL6095738 0.83 KIFC1 (0.52) KIFC1MMEGPR34GPR132ITGB1
SCHEMBL5926411 0.82 CDK2 (0.55) 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-7122580-B2 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. (US) 2006-10-17 US disclosed