SCHEMBL688082

SCHEMBL688082

Cc1ccc([C@H](CC(=O)O)NC(=O)Nc2c(O)ccn(Cc3ccc(C(F)(F)F)cc3)c2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
UTS2R Q9UKP6 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
CTSA P10619 2/20 0.40
MCHR1 Q99705 1/20 0.39
P2RY14 Q15391 1/20 0.39
ITGB1 P05556 2/20 0.39
ITGA4 P13612 2/20 0.39
PTGER4 P35408 2/20 0.38
PTGDR Q13258 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EEF2K O00418 1/20 0.38
FPR2 P25090 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
SCHEMBL687511 0.93 MEN1 (0.46) TP53KDM4EALDH1A1KMT2AMEN1
SCHEMBL688202 0.92 KDM4E (0.41) TP53KDM4EALDH1A1KMT2AMEN1
SCHEMBL688084 0.92 CYP26A1 (0.43) TP53KDM4EALDH1A1UTS2RKMT2A
SCHEMBL686919 0.90 GAA (0.45) KDM4EALDH1A1KMT2AMEN1POLB
SCHEMBL687488 0.90 MAPT (0.51) TP53KDM4EALDH1A1KMT2AMEN1
SCHEMBL687408 0.89 KMT2A (0.43) TP53KDM4EALDH1A1KMT2AMEN1
SCHEMBL688110 0.89 MEN1 (0.49) TP53KDM4EALDH1A1KMT2AMEN1
SCHEMBL688377 0.89 LMNA (0.42) TP53KMT2AMEN1POLBITGB1
SCHEMBL687149 0.88 CTSA (0.47) ALDH1A1UTS2RMAPTCTSAEEF2K
SCHEMBL688264 0.87 LCK (0.47) KDM4EALDH1A1UTS2RKMT2AMEN1

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
EP-1203766-B1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC (US) 2012-02-29 EP disclosed
EP-1203766-A2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-05-08 EP disclosed