SCHEMBL9257832

SCHEMBL9257832

CCCCCCCN(Cc1ccc(OCOCCOC)cc1)C(=O)Nc1ccc(Cl)cc1OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.44
HDAC6 Q9UBN7 7/20 0.44
HDAC3 O15379 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
SOAT1 P35610 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
CNR2 P34972 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
PPARG P37231 3/20 0.38
PPARA Q07869 2/20 0.38
TSHR P16473 1/20 0.37
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 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
SCHEMBL9256976 0.94 HDAC1 (0.46) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL9252884 0.92 HDAC1 (0.46) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL9260818 0.89 SOAT1 (0.43) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL9260748 0.88 PPARG (0.39) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL9257679 0.88 HDAC6 (0.55) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL9257144 0.88 HDAC6 (0.38) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL9252264 0.87 SOAT1 (0.46) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL9252619 0.86 HDAC1 (0.51) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL9577672 0.85 GAA (0.38) NPSR1MEN1GAAKMT2APPARG
SCHEMBL9260018 0.85 HDAC6 (0.47) HDAC1HDAC6HDAC3HDAC2HDAC8

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
US-5422373-A An alkoxybenzyl-alkylene-arylurea anticholesterol, antilipemic agents and enzyme inhibitors BURROUGHS WELLCOME CO. (US) 1995-06-06 US claimed
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