SCHEMBL686799

SCHEMBL686799

COc1cccc([C@H](CC(=O)O)NC(=O)Nc2c(O)c(C)cn(Cc3ccccc3Cl)c2=O)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 11/20 0.51
SMN1; SMN2 Q16637 1/20 0.42
CASR P41180 1/20 0.41
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
POLB P06746 1/20 0.38
CTSA P10619 1/20 0.38
CNR2 P34972 1/20 0.38
SLC22A12 Q96S37 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
SCHEMBL686938 0.93 PTGER3 (0.47) PTGER3THRBCTSACNR2SLC22A12
SCHEMBL687712 0.93 PTGER3 (0.43) PTGER3SMN1; SMN2MAPTCTSACNR2
SCHEMBL687744 0.92 PTGER3 (0.43) PTGER3MAPTCTSACNR2SLC22A12
SCHEMBL686842 0.92 PTGER3 (0.45) PTGER3MAPTTHRBCTSACNR2
SCHEMBL688442 0.92 PTGER3 (0.42) PTGER3MAPTCTSACNR2SLC22A12
SCHEMBL688053 0.91 PTGER3 (0.43) PTGER3SMN1; SMN2MAPTCTSACNR2
SCHEMBL687873 0.91 PTGER3 (0.42) PTGER3MAPTCNR2SLC22A12
SCHEMBL688343 0.90 PTGER3 (0.43) PTGER3SMN1; SMN2MAPTPOLBCTSA
SCHEMBL687791 0.90 PTGER3 (0.43) PTGER3SMN1; SMN2THRBCTSACNR2
SCHEMBL688233 0.90 PTGER3 (0.43) PTGER3SMN1; SMN2MAPTPOLBCTSA

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