SCHEMBL6978381

SCHEMBL6978381

O=C(CCc1ccc2oc(CC(C(=O)O)S(=O)(=O)NC(=O)OCc3ccccc3)cc2c1)NC1=NCCCN1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.48
ITGAV P06756 20/20 0.48
ITGA2B P08514 16/20 0.48

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
SCHEMBL6964129 0.87 ITGB3 (0.59) ITGB3ITGAVITGA2B
SCHEMBL6969094 0.83 ITGB3 (0.53) ITGB3ITGAVITGA2B
Hydrochloric Acid SCHEMBL7659068 0.83 ITGB3 (0.53) ITGB3ITGAVITGA2B
SCHEMBL7651509 0.82 ITGB3 (0.52) ITGB3ITGAVITGA2B
SCHEMBL6969498 0.80 ITGB3 (0.44) ITGB3ITGAVITGA2B
SCHEMBL6977082 0.79 ITGB3 (0.56) ITGB3ITGAVITGA2B
SCHEMBL6964924 0.76 ITGB3 (0.61) ITGB3ITGAVITGA2B
SCHEMBL6966661 0.76 ITGB3 (0.58) ITGB3ITGAVITGA2B
SCHEMBL7222557 0.75 ITGB3 (0.38) ITGB3ITGAVITGA2B
SCHEMBL6960533 0.75 ITGB3 (0.60) ITGB3ITGAVITGA2B

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
EP-1133491-B1 NOVEL BENZOFURANE DERIVATIVES, PREPARATION METHOD, USE AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2003-02-19 EP claimed