SCHEMBL687213

SCHEMBL687213

COc1cc([C@H](CC(=O)O)NC(=O)Nc2c(O)c(C)c(C)n(Cc3ccccc3Cl)c2=O)ccc1C

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
RXFP1 Q9HBX9 5/20 0.43
TP53 P04637 4/20 0.43
PTGER3 P43115 3/20 0.41
POLB P06746 3/20 0.39
CTSA P10619 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CYP26A1 O43174 1/20 0.37
PPARG P37231 1/20 0.37
PTPN11 Q06124 1/20 0.36

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
SCHEMBL686509 0.91 MAPT (0.41) MAPTRXFP1TP53PTGER3SMN1; SMN2
SCHEMBL687874 0.91 MAPT (0.44) MAPTRXFP1TP53PTGER3POLB
SCHEMBL687805 0.90 POLB (0.39) POLBCTSASMN1; SMN2CYP26A1
SCHEMBL688254 0.89 SMN1; SMN2 (0.44) MAPTRXFP1TP53PTGER3POLB
SCHEMBL686808 0.87 CTSA (0.42) MAPTRXFP1TP53PTGER3CTSA
SCHEMBL688233 0.87 PTGER3 (0.43) MAPTRXFP1TP53PTGER3POLB
SCHEMBL688409 0.85 PPARG (0.42) MAPTRXFP1TP53PTGER3POLB
SCHEMBL688250 0.84 PTGER3 (0.45) MAPTRXFP1TP53PTGER3POLB
SCHEMBL687096 0.82 MEN1 (0.43) MAPTRXFP1TP53SMN1; SMN2
SCHEMBL687624 0.81 PTGER3 (0.42) MAPTRXFP1TP53PTGER3POLB

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