SCHEMBL4701718

SCHEMBL4701718

CCCCC(NC(=O)N[C@@H](CC(=O)O)c1ccc2c(c1)OCO2)C(=O)N(CC1CC1)CC1CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.45
ITGA2B P08514 9/20 0.45
GAA P10253 1/20 0.44
F2R P25116 1/20 0.42
TAS1R3 Q7RTX0 3/20 0.42
TAS1R1 Q7RTX1 3/20 0.42
ITGAV P06756 6/20 0.40
KMT2A Q03164 1/20 0.39
ITGB5 P18084 1/20 0.38
ITGB6 P18564 1/20 0.38
ITGB8 P26012 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
SCHEMBL4698663 0.89 GAA (0.47) ITGB3ITGA2BGAATAS1R3TAS1R1
SCHEMBL4699846 0.88 GAA (0.45) ITGB3ITGA2BGAAF2RTAS1R3
SCHEMBL4702523 0.87 GAA (0.48) ITGB3ITGA2BGAAF2RTAS1R3
SCHEMBL4699864 0.86 MAPT (0.44) ITGB3ITGA2BGAATAS1R3TAS1R1
SCHEMBL4700412 0.86 RAB9A (0.45) ITGB3ITGA2BGAAF2RTAS1R3
SCHEMBL4700843 0.85 GAA (0.47) ITGB3ITGA2BGAATAS1R3TAS1R1
SCHEMBL6127212 0.83 POLB (0.46) ITGB3ITGA2BGAATAS1R3TAS1R1
SCHEMBL17009347 0.83 POLB (0.46) ITGB3ITGA2BGAATAS1R3TAS1R1
SCHEMBL20530282 0.83 POLB (0.46) ITGB3ITGA2BGAATAS1R3TAS1R1
SCHEMBL7902080 0.83 GAA (0.42) ITGB3ITGA2BGAAF2RTAS1R3

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