SCHEMBL4697822

SCHEMBL4697822

CCCC[C@H](NC(=O)N[C@@H](CC(=O)O)c1ccc2c(c1)OCO2)C(=O)N(Cc1cccnc1)Cc1cccs1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
HTR5A P47898 2/20 0.36
GAA P10253 2/20 0.36
ADAM17 P78536 1/20 0.36
ITGB3 P05106 8/20 0.35
ITGAV P06756 8/20 0.35
ITGB5 P18084 1/20 0.35
ITGB6 P18564 1/20 0.35
ITGB8 P26012 1/20 0.35
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
ITGA2B P08514 2/20 0.34
BMP1 P13497 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL4701526 0.94 GAA (0.40) HTR5AGAAITGB3ITGAVITGB5
SCHEMBL4700500 0.92 POLB (0.43) POLBHPGDTRPM8GAAITGB3
SCHEMBL6122200 0.92 POLB (0.46) POLBHPGDTRPM8GAAITGB3
SCHEMBL20530282 0.92 POLB (0.46) POLBHPGDTRPM8GAAITGB3
SCHEMBL6127110 0.92 POLB (0.46) POLBHPGDTRPM8GAAITGB3
SCHEMBL4698443 0.92 POLB (0.46) POLBHPGDTRPM8GAAITGB3
SCHEMBL17009347 0.92 POLB (0.46) POLBHPGDTRPM8GAAITGB3
SCHEMBL6127212 0.92 POLB (0.46) POLBHPGDTRPM8GAAITGB3
SCHEMBL7900077 0.88 HPGD (0.44) POLBHPGDTRPM8GAAITGB3
SCHEMBL4698454 0.88 POLB (0.42) POLBHPGDTRPM8GAAITGB3

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-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