SCHEMBL688343

SCHEMBL688343

COc1ccc([C@H](CC(=O)O)NC(=O)Nc2c(O)c(C)cn(Cc3ccccc3Cl)c2=O)cc1C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 5/20 0.43
MAPT P10636 3/20 0.41
CTSA P10619 4/20 0.40
P2RX7 Q99572 2/20 0.40
POLB P06746 1/20 0.40
PDE7A Q13946 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CNR2 P34972 1/20 0.37
SLC22A12 Q96S37 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
SCHEMBL688233 0.94 PTGER3 (0.43) PTGER3MAPTCTSAP2RX7POLB
SCHEMBL687624 0.91 PTGER3 (0.42) PTGER3MAPTCTSAP2RX7POLB
SCHEMBL688170 0.91 PTGER3 (0.41) PTGER3MAPTSMN1; SMN2CNR2SLC22A12
SCHEMBL686799 0.90 PTGER3 (0.51) PTGER3MAPTCTSAPOLBSMN1; SMN2
SCHEMBL686842 0.90 PTGER3 (0.45) PTGER3MAPTCTSACNR2SLC22A12
SCHEMBL686938 0.89 PTGER3 (0.47) PTGER3CTSAP2RX7CNR2SLC22A12
SCHEMBL687242 0.89 SMN1; SMN2 (0.44) PTGER3MAPTPOLBSMN1; SMN2CNR2
SCHEMBL687114 0.89 PTGER3 (0.45) PTGER3MAPTCTSAP2RX7POLB
SCHEMBL687770 0.89 PTGER3 (0.47) PTGER3MAPTCTSAPOLBPDE7A
SCHEMBL687527 0.89 ITGB1 (0.42) PTGER3MAPTCTSAP2RX7CNR2

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