SCHEMBL688035

SCHEMBL688035

COc1ccc(Cl)c(Cn2ccc(O)c(NC(=O)N[C@@H](CC(=O)O)c3ccc(C)cc3)c2=O)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSA P10619 12/20 0.41
PTGER3 P43115 4/20 0.40
POLB P06746 1/20 0.39
LCK P06239 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL687691 0.89 PTGER3 (0.41) CTSAPTGER3
SCHEMBL688264 0.88 LCK (0.47) CTSAPTGER3POLBLCKALDH1A1
SCHEMBL687342 0.88 CTSA (0.41) CTSAPTGER3POLBALDH1A1THRB
SCHEMBL687524 0.88 PTGER3 (0.45) CTSAPTGER3LCKALDH1A1KDM4E
SCHEMBL687639 0.87 CTSA (0.36) CTSAPTGER3POLBKDM4EMAPT
SCHEMBL688155 0.87 PTGER3 (0.49) CTSAPTGER3POLBALDH1A1KDM4E
SCHEMBL688040 0.87 PTGER3 (0.49) CTSAPTGER3POLBALDH1A1KDM4E
SCHEMBL687149 0.86 CTSA (0.47) CTSAPTGER3ALDH1A1MAPTTHRB
SCHEMBL688150 0.86 ITGB1 (0.38) CTSAPTGER3POLBALDH1A1KDM4E
SCHEMBL688063 0.86 PTGER3 (0.55) PTGER3ALDH1A1KDM4EMEN1MAPT

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