SCHEMBL9252264

SCHEMBL9252264

CCCCCCCN(Cc1ccc(OCOCCOC)cc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.46
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC3 O15379 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
RAB9A P51151 3/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CNR2 P34972 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
SCHEMBL9257832 0.87 HDAC1 (0.44) SOAT1PPARGPPARAHDAC1HDAC6
SCHEMBL8768856 0.86 SOAT1 (0.52) SOAT1PPARGPPARAALDH1A1KDM4E
SCHEMBL9260018 0.84 HDAC6 (0.47) SOAT1PPARGPPARAHDAC1HDAC6
SCHEMBL9260818 0.83 SOAT1 (0.43) SOAT1PPARGPPARAHDAC1HDAC6
SCHEMBL9252619 0.81 HDAC1 (0.51) SOAT1PPARGPPARAALDH1A1LMNA
SCHEMBL9252884 0.81 HDAC1 (0.46) SOAT1PPARGPPARALMNAHDAC1
SCHEMBL9256976 0.81 HDAC1 (0.46) SOAT1PPARGPPARAHDAC1HDAC6
SCHEMBL9253920 0.80 HDAC1 (0.52) SOAT1PPARGPPARAHDAC1HDAC6
SCHEMBL9784546 0.79 SOAT1 (0.50) SOAT1PPARGPPARAALDH1A1KDM4E
SCHEMBL9257679 0.78 HDAC6 (0.55) SOAT1HDAC1HDAC6HDAC3HDAC2

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 6 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
EP-0550568-A1 ANTI-ATHEROSCLEROTIC ARYL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1993-07-14 EP claimed
WO-1992006075-A1 ANTI-ATHEROSCLEROTIC ARYL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-04-16 WO 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