SCHEMBL6940834

SCHEMBL6940834

CCCc1cccc(CCC)c1CC(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 2/20 0.44
FABP4 P15090 2/20 0.44
SOAT2 O75908 1/20 0.39
MYC P01106 1/20 0.39
SOAT1 P35610 1/20 0.39
MAP2K3 P46734 1/20 0.39
PPARG P37231 10/20 0.37
PPARA Q07869 10/20 0.37
FABP5 Q01469 1/20 0.36
HSP90AB1 P08238 1/20 0.34
GABRA1 P14867 2/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRB2 P47870 1/20 0.32

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
SCHEMBL7206360 0.83 FABP3 (0.51) FABP3FABP4SOAT2MYCSOAT1
SCHEMBL7207662 0.79 FABP4 (0.58) FABP3FABP4SOAT2MYCSOAT1
SCHEMBL27898710 0.72 FABP3 (0.62) FABP3FABP4SOAT2MYCSOAT1
SCHEMBL6940243 0.71 FABP3 (0.39) FABP3FABP4SOAT2MYCSOAT1
SCHEMBL6940643 0.70 PPARG (0.40) PPARGPPARA
SCHEMBL19289770 0.69 GABRA1 (0.50) SOAT1HSP90AB1GABRA1GABRG2GABRB3
SCHEMBL2380508 0.68 FABP4 (0.60) FABP3FABP4SOAT2MYCSOAT1
SCHEMBL19289798 0.67 GABRA1 (0.44) HSP90AB1GABRA1GABRG2GABRB3GABRB2
SCHEMBL4327412 0.66 FABP3 (0.58) FABP3FABP4SOAT2MYCSOAT1
SCHEMBL20274264 0.65 FABP3 (0.72) FABP3FABP4PPARGFABP5HSP90AB1

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
JP-2003513909-A 2003-04-15 JP claimed
EP-1229907-A1 PREVENTION OF PLAQUE RUPTURE BY ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-08-14 EP claimed
WO-2001034127-A1 PREVENTION OF PLAQUE RUPTURE BY ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-05-17 WO claimed