SCHEMBL8379701

SCHEMBL8379701

CC(CC(=O)c1ccc(C#N)cc1)C(=O)N1CCC(OCC(=O)O)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.52
ITGA2B P08514 8/20 0.52
RORC P51449 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
HRH3 Q9Y5N1 4/20 0.39
SLC6A3 Q01959 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
POLB P06746 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
SCHEMBL7284564 1.00 ITGB3 (0.52) ITGB3ITGA2BRORCSIGMAR1HRH3
SCHEMBL8379879 0.86 ITGB3 (0.43) ITGB3ITGA2BSIGMAR1HRH3SLC6A3
SCHEMBL8377684 0.84 ITGB3 (0.72) ITGB3ITGA2B
SCHEMBL8379338 0.84 ITGB3 (0.72) ITGB3ITGA2B
SCHEMBL8379353 0.84 ITGB3 (0.72) ITGB3ITGA2B
SCHEMBL8379326 0.84 ITGB3 (0.72) ITGB3ITGA2B
SCHEMBL8643891 0.84 SIGMAR1 (0.45) SIGMAR1SLC6A3POLB
SCHEMBL8379068 0.84 ITGB3 (0.57) ITGB3ITGA2B
SCHEMBL14427048 0.84 ITGB3 (0.71) ITGB3ITGA2B
SCHEMBL8379793 0.84 ITGB3 (0.57) ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5973188-A Acetic acid derivatives HOFFMANN-LA ROCHE INC. (US) 1999-10-26 US disclosed