SCHEMBL9257366

SCHEMBL9257366

CCCCCCCN(Cc1ccc(OCOCCOC)cc1)C(=O)Nc1ccccc1SC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 9/20 0.49
HDAC1 Q13547 8/20 0.49
HDAC3 O15379 3/20 0.49
HDAC2 Q92769 3/20 0.49
HDAC8 Q9BY41 2/20 0.49
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
SOAT1 P35610 1/20 0.42
MAPT P10636 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ACAT1 P24752 1/20 0.41
LPAR1 Q92633 1/20 0.39
LPAR5 Q9H1C0 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
SCHEMBL9257517 0.88 HDAC1 (0.55) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL9257679 0.88 HDAC6 (0.55) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL9254090 0.87 HDAC1 (0.54) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL9253920 0.84 HDAC1 (0.52) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL9259129 0.84 HDAC1 (0.47) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL9252619 0.82 HDAC1 (0.51) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL9257090 0.82 HDAC6 (0.45) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL9256781 0.82 HDAC1 (0.50) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL9252884 0.81 HDAC1 (0.46) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL9260018 0.81 HDAC6 (0.47) HDAC6HDAC1HDAC3HDAC2HDAC8

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