SCHEMBL4698454

SCHEMBL4698454

CCCC[C@H](NC(=O)N[C@@H](CC(=O)O)c1ccc2c(c1)OCO2)C(=O)N(Cc1cccs1)Cc1nccs1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
GAA P10253 1/20 0.39
TRPM8 Q7Z2W7 2/20 0.38
ITGB3 P05106 9/20 0.36
ITGAV P06756 6/20 0.36
ITGB5 P18084 1/20 0.35
ITGB6 P18564 1/20 0.35
ITGB8 P26012 1/20 0.35
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
ITGA2B P08514 4/20 0.35
CTSA P10619 1/20 0.35

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
SCHEMBL6127212 0.93 POLB (0.46) POLBHPGDGAATRPM8ITGB3
SCHEMBL6127110 0.93 POLB (0.46) POLBHPGDGAATRPM8ITGB3
SCHEMBL4698443 0.93 POLB (0.46) POLBHPGDGAATRPM8ITGB3
SCHEMBL20530282 0.93 POLB (0.46) POLBHPGDGAATRPM8ITGB3
SCHEMBL17009347 0.93 POLB (0.46) POLBHPGDGAATRPM8ITGB3
SCHEMBL6122200 0.93 POLB (0.46) POLBHPGDGAATRPM8ITGB3
SCHEMBL4700500 0.89 POLB (0.43) POLBHPGDGAATRPM8ITGB3
SCHEMBL7900077 0.89 HPGD (0.44) POLBHPGDGAATRPM8ITGB3
SCHEMBL7900087 0.89 GAA (0.41) GAAITGB3ITGAVITGB5ITGB6
SCHEMBL24119265 0.88 POLB (0.47) POLBHPGDGAATRPM8ITGB3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1071680-B1 N,N-DISUBSTITUTED AMIDES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS ENCYSIVE PHARMACEUTICALS INC (US) 2008-07-23 EP claimed
US-6194448-B1 ANTIINFLAMMATORY AGENTS; ASTHMA; RHEUMATIC DISORDERS TEXAS BIOTECHNOLOGY CORPORATION 2001-02-27 US claimed
EP-1071680-B1 N,N-DISUBSTITUTED AMIDES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS ENCYSIVE PHARMACEUTICALS INC (US) 2008-07-23 EP disclosed
US-6194448-B1 ANTIINFLAMMATORY AGENTS; ASTHMA; RHEUMATIC DISORDERS TEXAS BIOTECHNOLOGY CORPORATION 2001-02-27 US disclosed