SCHEMBL4434286

SCHEMBL4434286

CCCCC(C(=O)N[C@@H](CC(=O)O)c1cccc(C(F)(F)F)c1)n1cc(C)cc(Cc2ccccc2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 4/20 0.39
EPHX1 P07099 1/20 0.39
WDR5 P61964 1/20 0.39
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
ITGAV P06756 3/20 0.36
ITGB5 P18084 3/20 0.36
ITGB6 P18564 3/20 0.36
ITGB3 P05106 2/20 0.36
ITGB8 P26012 2/20 0.36
FPR1 P21462 2/20 0.35
MMP2 P08253 4/20 0.35
MMP3 P08254 3/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL7429087 0.90 MMP2 (0.38) CTSAFPR1MMP2MMP3POLB
SCHEMBL4427187 0.90 MMP2 (0.38) CTSAFPR1MMP2MMP3POLB
SCHEMBL4427933 0.90 ITGB3 (0.42) WDR5ITGAVITGB5ITGB6ITGB3
SCHEMBL4424644 0.90 FPR1 (0.37) CTSAFPR1MMP2MMP3POLB
SCHEMBL4429149 0.90 CYP26A1 (0.39) CTSAITGAVITGB5ITGB6ITGB3
SCHEMBL4435231 0.89 CASP1 (0.38) CTSAFPR1MMP2MMP3
SCHEMBL7431479 0.89 CASP1 (0.38) CTSAFPR1MMP2MMP3
SCHEMBL4429239 0.89 CASP1 (0.38) CTSAFPR1MMP2MMP3
SCHEMBL4429980 0.88 CASP1 (0.36) CTSAFPR1MMP2MMP3OPRK1
SCHEMBL4435606 0.88 FPR1 (0.36) CTSAFPR1MMP2MMP3POLB

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-1213288-B1 Propanoic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC (US) 2009-01-14 EP disclosed
EP-1213288-A1 Propanoic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-06-12 EP disclosed