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SCHEMBL688458

SCHEMBL688458

Cc1ccc([C@H](CC(=O)O)NC(=O)Nc2c(O)c(C(C)C)cn(Cc3ccccc3Cl)c2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTGER3 P43115 9/20 0.43
▸ CTSA P10619 5/20 0.41
▸ CNR2 P34972 1/20 0.40
▸ MAPT P10636 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
SCHEMBL686806 0.92 PTGER3 (0.45) PTGER3CTSACNR2MAPT
SCHEMBL686896 0.91 PTGER3 (0.44) PTGER3CTSACNR2
SCHEMBL29371834 0.91 PTGER3 (0.44) PTGER3CTSACNR2
SCHEMBL686663 0.91 PTGER3 (0.44) PTGER3CTSACNR2MAPT
SCHEMBL688284 0.90 PTGER3 (0.43) PTGER3CTSACNR2MAPT
SCHEMBL687127 0.88 PTGER3 (0.42) PTGER3CTSACNR2MAPT
SCHEMBL688643 0.87 PTGER3 (0.41) PTGER3CTSACNR2MAPT
SCHEMBL687778 0.87 CNR2 (0.43) PTGER3CTSACNR2
SCHEMBL688053 0.87 PTGER3 (0.43) PTGER3CTSACNR2MAPT
SCHEMBL688399 0.86 PTGER3 (0.40) PTGER3CTSACNR2MAPT

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