SCHEMBL688122

SCHEMBL688122

O=C(O)C[C@H](NC(=O)Nc1cccn(Cc2ccccc2Cl)c1=O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 15/20 0.67
ALDH1A1 P00352 5/20 0.63
KDM4E B2RXH2 4/20 0.63
MAPK1 P28482 3/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
NPSR1 Q6W5P4 2/20 0.57
CYP1A2 P05177 2/20 0.56
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL686675 0.95 PTGER3 (0.64) PTGER3ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL688100 0.94 PTGER3 (0.62) PTGER3ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL27587408 0.94 PTGER3 (0.62) PTGER3ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL687891 0.93 PTGER3 (0.69) PTGER3ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL688027 0.93 PTGER3 (0.67) PTGER3ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL27741945 0.92 PTGER3 (0.59) PTGER3ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL687785 0.91 PTGER3 (0.61) PTGER3ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL687769 0.91 PTGER3 (0.62) PTGER3ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL687374 0.91 PTGER3 (0.68) PTGER3ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL687261 0.91 PTGER3 (0.62) PTGER3ALDH1A1KDM4EMAPK1SMN1; SMN2

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