SCHEMBL688079

SCHEMBL688079

Cc1cn(Cc2ccccc2Cl)c(=O)c(NC(=O)N[C@@H](CC(=O)O)c2ccc3ccn(C)c3c2)c1O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 10/20 0.38
SLC22A12 Q96S37 1/20 0.38
CTSA P10619 2/20 0.37
CNR2 P34972 1/20 0.36
SLC16A3 O15427 1/20 0.36
SLC16A1 P53985 1/20 0.36
BRD4 O60885 1/20 0.35
CYP26A1 O43174 1/20 0.34
ITGB1 P05556 2/20 0.34
ITGA4 P13612 2/20 0.34

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
SCHEMBL687687 0.94 PTGER3 (0.38) PTGER3SLC22A12CNR2BRD4CYP26A1
SCHEMBL686846 0.89 PTGER3 (0.41) PTGER3SLC22A12CTSACNR2CYP26A1
SCHEMBL688170 0.88 PTGER3 (0.41) PTGER3SLC22A12CNR2CYP26A1ITGB1
SCHEMBL688053 0.86 PTGER3 (0.43) PTGER3SLC22A12CTSACNR2
SCHEMBL687366 0.86 CTSA (0.37) PTGER3SLC22A12CTSAITGB1ITGA4
SCHEMBL688442 0.86 PTGER3 (0.42) PTGER3SLC22A12CTSACNR2CYP26A1
SCHEMBL686896 0.86 PTGER3 (0.44) PTGER3SLC22A12CTSACNR2
SCHEMBL29371834 0.86 PTGER3 (0.44) PTGER3SLC22A12CTSACNR2
SCHEMBL688284 0.86 PTGER3 (0.43) PTGER3SLC22A12CTSACNR2CYP26A1
SCHEMBL686938 0.86 PTGER3 (0.47) PTGER3SLC22A12CTSACNR2CYP26A1

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