SCHEMBL687141

SCHEMBL687141

O=C(O)C[C@H](NC(=O)Nc1c(O)ccn(Cc2ccccc2Cl)c1=O)c1cc(F)cc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 15/20 0.44
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
CYP1A2 P05177 1/20 0.38
CTSA P10619 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL686873 0.93 PTGER3 (0.49) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL687238 0.92 PTGER3 (0.46) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL687418 0.91 PTGER3 (0.46) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL687647 0.90 PTGER3 (0.44) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL687702 0.89 MAPT (0.50) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL687672 0.89 CYP26A1 (0.43) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL688004 0.88 PTGER3 (0.44) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL687152 0.88 PTGER3 (0.48) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL688236 0.87 PTGER3 (0.47) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL687411 0.87 PTGER3 (0.42) PTGER3KDM4EALDH1A1MAPK1SMN1; 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 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