SCHEMBL688224

SCHEMBL688224

O=C(O)C[C@H](NC(=O)Nc1cccn(Cc2cccc(Cl)c2)c1=O)c1ccc2c(c1)OCO2

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 5/20 0.51
MAPT P10636 6/20 0.44
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ITGB3 P05106 2/20 0.44
ITGAV P06756 1/20 0.44
KDM4E B2RXH2 4/20 0.43
LMNA P02545 3/20 0.43
POLB P06746 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ITGA2B P08514 1/20 0.42
HPGD P15428 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
TP53 P04637 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) PTGER3MAPTALDH1A1MEN1KMT2A
SCHEMBL687571 0.93 ALDH1A1 (0.50) PTGER3MAPTALDH1A1MEN1KMT2A
SCHEMBL688325 0.93 ALDH1A1 (0.51) PTGER3MAPTALDH1A1MEN1KMT2A
SCHEMBL686838 0.90 PTGER3 (0.51) PTGER3MAPTALDH1A1MEN1KMT2A
SCHEMBL4700630 0.90 MAPT (0.44) PTGER3MAPTALDH1A1MEN1KMT2A
SCHEMBL695420 0.89 MAPT (0.54) PTGER3MAPTALDH1A1MEN1KMT2A
SCHEMBL686731 0.89 MAPT (0.55) PTGER3MAPTALDH1A1MEN1KMT2A
SCHEMBL687933 0.88 PTGER3 (0.53) PTGER3MAPTALDH1A1MEN1KMT2A
SCHEMBL687428 0.87 PTGER3 (0.56) PTGER3MAPTALDH1A1MEN1KMT2A
SCHEMBL687886 0.87 PTGER3 (0.56) PTGER3MAPTALDH1A1MEN1KMT2A

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