SCHEMBL688325

SCHEMBL688325

O=C(O)C[C@H](NC(=O)Nc1cccn(Cc2ccc(Cl)cc2)c1=O)c1ccc2c(c1)OCO2

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MAPT P10636 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
PTGER3 P43115 1/20 0.48
LMNA P02545 4/20 0.46
TP53 P04637 1/20 0.45
ITGB3 P05106 4/20 0.44
ITGA2B P08514 3/20 0.44
ITGB1 P05556 7/20 0.43
ITGA4 P13612 7/20 0.43
KDM4E B2RXH2 3/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ITGAV P06756 1/20 0.42

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
SCHEMBL688073 0.94 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2APTGER3
SCHEMBL687571 0.94 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2APTGER3
SCHEMBL695420 0.93 MAPT (0.54) ALDH1A1MAPTMEN1KMT2APTGER3
SCHEMBL688224 0.93 PTGER3 (0.51) ALDH1A1MAPTMEN1KMT2APTGER3
SCHEMBL4700630 0.93 MAPT (0.44) ALDH1A1MAPTMEN1KMT2APTGER3
SCHEMBL686731 0.92 MAPT (0.55) ALDH1A1MAPTMEN1KMT2APTGER3
SCHEMBL688223 0.90 PTGER3 (0.55) ALDH1A1MAPTMEN1KMT2APTGER3
SCHEMBL687518 0.90 LMNA (0.46) ALDH1A1MAPTMEN1KMT2APTGER3
SCHEMBL27587415 0.90 LMNA (0.46) ALDH1A1MAPTMEN1KMT2APTGER3
SCHEMBL687428 0.89 PTGER3 (0.56) ALDH1A1MAPTMEN1KMT2APTGER3

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 3 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-1176956-B1 CARBOXYLIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS ENCYSIVE PHARMACEUTICALS INC (US) 2008-01-09 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