SCHEMBL687905

SCHEMBL687905

O=C(O)C[C@@H](Cc1ccccc1Cl)NC(=O)Nc1c(O)ccn(Cc2ccccc2Cl)c1=O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 15/20 0.46
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.38
THRB P10828 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
SCHEMBL687900 0.94 PTGER3 (0.48) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL688152 0.92 LCK (0.42) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL688064 0.90 PTGER3 (0.48) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL687685 0.90 PTGER3 (0.48) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL688237 0.90 KDM4E (0.46) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL688494 0.89 PTGER3 (0.41) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL688402 0.87 PTGER3 (0.47) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL688196 0.86 PIN1 (0.47) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL687418 0.86 PTGER3 (0.46) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL687854 0.85 PTGER3 (0.44) 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