SCHEMBL3542946

SCHEMBL3542946

CC(C)Oc1ccc2oc(-c3ccc(N4CCCC4)cc3)c(C(=O)O)c2c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.58
ALDH1A1 P00352 4/20 0.58
HSD17B10 Q99714 4/20 0.58
HPGD P15428 3/20 0.58
MAPK1 P28482 1/20 0.51
RECQL P46063 1/20 0.51
MAPT P10636 3/20 0.48
USP2 O75604 1/20 0.47
ALOX15 P16050 1/20 0.47
KMT2A Q03164 1/20 0.47
ANO1 Q5XXA6 11/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL2839095 0.89 ALDH1A1 (0.49) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL3541346 0.82 KDM4E (0.65) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL3543307 0.82 KDM4E (0.65) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL3543406 0.82 KDM4E (0.67) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL3535209 0.77 ANO1 (0.67) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL3544726 0.76 ANO1 (0.43) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL10240097 0.73 ANO1 (0.53) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL2841538 0.72 KDM4E (0.64) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL3545360 0.71 ANO1 (0.63) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL2294234 0.71 L3MBTL1 (0.55) KDM4EALDH1A1HSD17B10HPGDMAPT

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-7666863-B2 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases VIROPHARMA INCORPORATED (US) 2010-02-23 US claimed