Sugi Predict

Sugi Predict / Compounds / SCHEMBL9260476

SCHEMBL9260476

SCHEMBL9260476

CCCCCCCN(Cc1ccc(OCOCCOC)cc1)C(=O)Nc1c(OC)cc(OC)cc1OC(CC(C)(C)C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ 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
▸ LPAR1 Q92633 1/20 0.38
▸ LPAR5 Q9H1C0 1/20 0.38

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
SCHEMBL9259382 0.83 SOAT1 (0.47) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9256781 0.81 HDAC1 (0.50) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9252619 0.78 HDAC1 (0.51) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9252305 0.77 SOAT1 (0.47) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL8856197 0.76 SOAT1 (0.60) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL8768112 0.75 PPARA (0.56) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9254090 0.74 HDAC1 (0.54) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9261604 0.73 HDAC1 (0.51) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9257679 0.73 HDAC6 (0.55) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9257517 0.73 HDAC1 (0.55) HDAC3HDAC1HDAC2HDAC8HDAC6

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 1 patent. 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