SCHEMBL9259382

SCHEMBL9259382

CCCCCCCN(Cc1ccc(OCOCCOC)cc1)C(=O)Nc1c(OC)cc(OC)cc1OCc1ccc(CC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 2/20 0.47
ACAT1 P24752 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
SMPD1 P17405 1/20 0.37
LPAR1 Q92633 1/20 0.36
LPAR5 Q9H1C0 1/20 0.36

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
SCHEMBL8856197 0.86 SOAT1 (0.60) SOAT1ACAT1KDM4ETP53CYP3A4
SCHEMBL9256781 0.83 HDAC1 (0.50) SOAT1HDAC3HDAC1HDAC2HDAC8
SCHEMBL9260476 0.83 HDAC3 (0.39) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9252619 0.82 HDAC1 (0.51) SOAT1CYP3A4MAPTTSHRHDAC3
SCHEMBL9252305 0.80 SOAT1 (0.47) SOAT1HDAC3HDAC1HDAC2HDAC8
SCHEMBL9252064 0.77 SOAT1 (0.42) SOAT1KDM4EHDAC3HDAC1HDAC2
SCHEMBL9260818 0.77 SOAT1 (0.43) SOAT1HDAC3HDAC1HDAC2HDAC8
SCHEMBL9261604 0.77 HDAC1 (0.51) SOAT1CYP3A4MAPTTSHRHDAC3
SCHEMBL9252289 0.77 HDAC1 (0.42) SOAT1HDAC3HDAC1HDAC2HDAC8
SCHEMBL9257144 0.77 HDAC6 (0.38) SOAT1HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5422373-A An alkoxybenzyl-alkylene-arylurea anticholesterol, antilipemic agents and enzyme inhibitors BURROUGHS WELLCOME CO. (US) 1995-06-06 US disclosed
EP-0550568-A1 ANTI-ATHEROSCLEROTIC ARYL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1993-07-14 EP disclosed
WO-1992006075-A1 ANTI-ATHEROSCLEROTIC ARYL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-04-16 WO disclosed