SCHEMBL2864345

SCHEMBL2864345

CN(c1cc2oc(-c3ccc(F)cc3)c(C(=O)O)c2cc1OCc1ccc2c(c1)OC(C)(C)OC2=O)S(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 7/20 0.46

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
SCHEMBL2871361 0.94 ANO1 (0.46) ANO1
SCHEMBL3542343 0.92 CACNA1C (0.48)
SCHEMBL2868487 0.86
SCHEMBL2839136 0.84 ANO1 (0.59) ANO1
SCHEMBL3542342 0.79 CYP3A4 (0.38)
SCHEMBL2860552 0.77 ANO1 (0.38) ANO1
SCHEMBL2841366 0.77 ANO1 (0.48) ANO1
SCHEMBL2841448 0.76 CYP3A4 (0.51) ANO1
SCHEMBL2841511 0.76 CACNA1C (0.50)
SCHEMBL2836792 0.76 CYP3A4 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4537315-B2 2010-09-01 JP claimed
EP-1581207-A4 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INC (US) 2007-07-25 EP claimed
JP-2006510736-A 2006-03-30 JP claimed
EP-1581207-A2 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES Viropharma Incorporated (US) 2005-10-05 EP claimed
WO-2004041201-A2 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INCORPORATED (US) 2004-05-21 WO claimed