SCHEMBL5528865

SCHEMBL5528865

CC[AsH]c1cc2oc(-c3ccc(F)cc3)c(C(=O)O)c2cc1OC(C)C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 12/20 0.46
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL16112894 0.83 ANO1 (0.47) ANO1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3541223 0.82 ANO1 (0.48) ANO1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5315105 0.81 ANO1 (0.46) ANO1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3534077 0.79 ANO1 (0.45) ANO1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5522655 0.79 CYP3A4 (0.44)
SCHEMBL16113566 0.78 ANO1 (0.45) ANO1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3543307 0.77 KDM4E (0.65) ANO1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1919537 0.77 ANO1 (0.43) ANO1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3544726 0.77 ANO1 (0.43) ANO1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2856691 0.76 ANO1 (0.42) ANO1KDM4EALDH1A1HPGDHSD17B10

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-7265152-B2 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases VIROPHARMA INCORPORATED (US) 2007-09-04 US claimed