SCHEMBL687923

SCHEMBL687923

Cc1cn(Cc2ccccc2Cl)c(=O)c(NC(=O)NC(CC(=O)O)c2ccc(-c3ccccc3)cc2)c1O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 8/20 0.41
CTSA P10619 4/20 0.41
CNR2 P34972 1/20 0.40
UTS2R Q9UKP6 1/20 0.40
SLC22A12 Q96S37 1/20 0.38
ITGB1 P05556 5/20 0.37
ITGA4 P13612 5/20 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
SCHEMBL688053 0.95 PTGER3 (0.43) PTGER3CTSACNR2SLC22A12
SCHEMBL688284 0.94 PTGER3 (0.43) PTGER3CTSACNR2SLC22A12ITGB1
SCHEMBL686896 0.94 PTGER3 (0.44) PTGER3CTSACNR2SLC22A12
SCHEMBL29371834 0.94 PTGER3 (0.44) PTGER3CTSACNR2SLC22A12
SCHEMBL687791 0.94 PTGER3 (0.43) PTGER3CTSACNR2UTS2R
SCHEMBL687977 0.93 ITGB1 (0.41) PTGER3CTSACNR2SLC22A12ITGB1
SCHEMBL688581 0.92 PTGER3 (0.44) PTGER3CNR2SLC22A12ITGB1ITGA4
SCHEMBL688878 0.91 PTGER3 (0.41) PTGER3CTSACNR2SLC22A12
SCHEMBL686842 0.91 PTGER3 (0.45) PTGER3CTSACNR2UTS2RSLC22A12
SCHEMBL686997 0.91 PTGER3 (0.39) PTGER3CTSACNR2SLC22A12

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