SCHEMBL687957

SCHEMBL687957

Cc1ccc(C)c([C@H](CC(=O)O)NC(=O)Nc2c(O)ccn(Cc3ccccc3Cl)c2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 14/20 0.45
MAPT P10636 1/20 0.42
CTSA P10619 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.38

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
SCHEMBL688155 0.88 PTGER3 (0.49) PTGER3MAPTCTSAKDM4EALDH1A1
SCHEMBL688040 0.88 PTGER3 (0.49) PTGER3MAPTCTSAKDM4EALDH1A1
SCHEMBL687732 0.87 PTGER3 (0.49) PTGER3MAPTCTSAKDM4EALDH1A1
SCHEMBL687155 0.87 PTGER3 (0.44) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL687647 0.87 PTGER3 (0.44) PTGER3MAPTKDM4EALDH1A1MAPK1
SCHEMBL688258 0.87 PTGER3 (0.45) PTGER3MAPTCTSAALDH1A1
SCHEMBL687906 0.86 PTGER3 (0.47) PTGER3MAPTCTSAKDM4EALDH1A1
SCHEMBL688039 0.85 PTGER3 (0.44) PTGER3MAPTCTSAKDM4EALDH1A1
SCHEMBL687418 0.85 PTGER3 (0.46) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL714562 0.84 PTGER3 (0.43) PTGER3MAPTKDM4EALDH1A1MAPK1

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