SCHEMBL8963355

SCHEMBL8963355

COc1cc(OC)c(NC(=O)CS(=O)(=O)Nc2c(OC)cc(OC)cc2OC)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
TSHR P16473 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
ACAT1 P24752 1/20 0.44
SOAT1 P35610 1/20 0.44
ALDH1A1 P00352 4/20 0.43
POLB P06746 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL1122340 0.85 MAPT (0.43) MAPTTSHRKDM4ETP53CYP3A4
SCHEMBL9063039 0.85 MAPT (0.40) MAPTTSHRKDM4ETP53CYP3A4
SCHEMBL9063047 0.81 MAPT (0.40) MAPTTSHRKDM4ETP53CYP3A4
SCHEMBL9754199 0.76 ALDH1A1 (0.53) MAPTTSHRKDM4ETP53CYP3A4
SCHEMBL9462849 0.76 TSHR (0.49) MAPTTSHRKDM4ETP53CYP3A4
SCHEMBL8962452 0.74 KDM4E (0.48) MAPTTSHRKDM4ETP53CYP3A4
SCHEMBL8963364 0.74 GAA (0.46) MAPTTSHRALDH1A1POLBL3MBTL1
SCHEMBL18415560 0.73 MAPT (0.51) MAPTTSHRKDM4ETP53CYP3A4
SCHEMBL10683818 0.73 MAPT (0.59) MAPTTSHRKDM4ETP53CYP3A4
SCHEMBL7959792 0.72 MAPT (0.50) MAPTTSHRKDM4ETP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996019446-A1 β-CARBOXY SULFONAMIDE ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1996-06-27 WO claimed
US-5491170-A TREATMENT OF HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1996-02-13 US claimed
WO-1996019446-A1 β-CARBOXY SULFONAMIDE ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1996-06-27 WO disclosed
US-5491170-A TREATMENT OF HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1996-02-13 US disclosed