SCHEMBL688442

SCHEMBL688442

Cc1cn(Cc2ccccc2Cl)c(=O)c(NC(=O)N[C@@H](CC(=O)O)c2cccc(O)c2)c1O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 12/20 0.42
CNR2 P34972 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
CTSA P10619 1/20 0.38
CYP26A1 O43174 2/20 0.37
PYGL P06737 1/20 0.37
MAPT P10636 1/20 0.37
CYP1A2 P05177 1/20 0.37
TP53 P04637 1/20 0.37
RXFP1 Q9HBX9 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
SCHEMBL688053 0.94 PTGER3 (0.43) PTGER3CNR2SLC22A12CTSAMAPT
SCHEMBL687045 0.93 PTGER3 (0.42) PTGER3CNR2SLC22A12CTSACYP26A1
SCHEMBL686799 0.92 PTGER3 (0.51) PTGER3CNR2SLC22A12CTSAMAPT
SCHEMBL688170 0.92 PTGER3 (0.41) PTGER3CNR2SLC22A12CYP26A1MAPT
SCHEMBL687712 0.91 PTGER3 (0.43) PTGER3CNR2SLC22A12CTSAMAPT
SCHEMBL688379 0.91 PTGER3 (0.42) PTGER3CNR2SLC22A12CTSACYP26A1
SCHEMBL688474 0.90 PTGER3 (0.39) PTGER3CNR2SLC22A12CTSAPYGL
SCHEMBL687796 0.90 CTSA (0.46) PTGER3CNR2SLC22A12CTSAMAPT
SCHEMBL688878 0.90 PTGER3 (0.41) PTGER3CNR2SLC22A12CTSACYP26A1
SCHEMBL687744 0.90 PTGER3 (0.43) PTGER3CNR2SLC22A12CTSAMAPT

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