SCHEMBL9259009

SCHEMBL9259009

CCCCCCCN(Cc1ccc(OCOCC)cc1)C(=O)Nc1cc(C(C)(C)C)ccc1C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.48
PPARG P37231 4/20 0.42
PPARA Q07869 4/20 0.42
HDAC6 Q9UBN7 8/20 0.41
HDAC1 Q13547 7/20 0.41
HDAC3 O15379 4/20 0.41
HDAC2 Q92769 4/20 0.41
HDAC8 Q9BY41 3/20 0.41
PPARD Q03181 2/20 0.39
HDAC4 P56524 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
ACAT1 P24752 1/20 0.37

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
SCHEMBL9260772 0.79 SOAT1 (0.70) SOAT1PPARGPPARAPPARD
SCHEMBL9258955 0.76 CNR2 (0.53) SOAT1PPARGPPARAHDAC6HDAC1
SCHEMBL9252062 0.76 SOAT1 (0.48) SOAT1PPARGPPARAHDAC6HDAC1
SCHEMBL9260818 0.74 SOAT1 (0.43) SOAT1PPARGPPARAHDAC6HDAC1
SCHEMBL8768874 0.74 PPARG (0.46) SOAT1PPARGPPARAHDAC6HDAC1
SCHEMBL8925558 0.74 PPARA (0.40) SOAT1PPARGPPARAHDAC6HDAC1
SCHEMBL9784524 0.73 SOAT1 (0.51) SOAT1PPARGPPARAHDAC6HDAC1
SCHEMBL9252884 0.73 HDAC1 (0.46) SOAT1PPARGPPARAHDAC6HDAC1
SCHEMBL9253807 0.72 TSHR (0.54) SOAT1PPARGPPARAHDAC6HDAC1
SCHEMBL9248994 0.72 HDAC6 (0.56) SOAT1HDAC6HDAC1HDAC3HDAC2

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