SCHEMBL9252289

SCHEMBL9252289

CCCCCCCN(Cc1ccc(OCOCCOC)cc1)C(=O)Nc1c(C)cc(Br)cc1C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.42
HDAC6 Q9UBN7 10/20 0.42
HDAC3 O15379 4/20 0.41
HDAC2 Q92769 4/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC4 P56524 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
SOAT1 P35610 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
MMP9 P14780 2/20 0.39
MMP13 P45452 2/20 0.39
ADAM17 P78536 2/20 0.39
MMP1 P03956 1/20 0.39
NPC1 O15118 1/20 0.38
BAX Q07812 1/20 0.37
SMPD1 P17405 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
SCHEMBL9256781 0.84 HDAC1 (0.50) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL9259136 0.83 HDAC6 (0.39) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL9252305 0.81 SOAT1 (0.47) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL9260018 0.81 HDAC6 (0.47) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL9259222 0.80 SOAT1 (0.47) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL9257144 0.80 HDAC6 (0.38) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL9252619 0.80 HDAC1 (0.51) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL9252884 0.80 HDAC1 (0.46) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL9257679 0.79 HDAC6 (0.55) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL9257366 0.79 HDAC6 (0.49) 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 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