SCHEMBL7620745

SCHEMBL7620745

CC(C)c1[c]c(C(C)C)cc(N(C(=O)Cc2c(C(C)C)cc(C(C)C)cc2C(C)C)S(=O)(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 2/20 0.39
FABP4 P15090 2/20 0.39
FABP5 Q01469 1/20 0.39
SOAT2 O75908 1/20 0.39
MYC P01106 1/20 0.39
SOAT1 P35610 1/20 0.39
MAP2K3 P46734 1/20 0.39

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
SCHEMBL8162887 0.82 SOAT2 (0.46) FABP3FABP4FABP5SOAT2MYC
SCHEMBL287564 0.78 SOAT2 (0.51) FABP3FABP4FABP5SOAT2MYC
SCHEMBL7206928 0.73 FABP3 (0.41) FABP3FABP4FABP5SOAT2MYC
SCHEMBL7207657 0.67 FABP3 (0.44) FABP3FABP4FABP5SOAT2MYC
SCHEMBL2779847 0.66 SOAT2 (0.62) FABP3FABP4FABP5SOAT2MYC
SCHEMBL7109323 0.66 FABP3 (0.39) FABP3FABP4FABP5SOAT2MYC
SCHEMBL8137246 0.66 FABP3 (0.57) FABP3FABP4FABP5SOAT2MYC
SCHEMBL8136292 0.64 FABP4 (0.50) FABP3FABP4FABP5SOAT2MYC
SCHEMBL7206924 0.63 SOAT2 (0.39) FABP3FABP4FABP5SOAT2MYC
SCHEMBL7207662 0.63 FABP4 (0.58) FABP3FABP4FABP5SOAT2MYC

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1263421-A2 THE DUAL INHIBITOR OF CHOLESTERYL ESTER AND WAX ESTER SYNTHESIS AVASIMIBE FOR TREATING SEBACEOUS GLAND DISORDERS Warner-Lambert Company LLC (US) 2002-12-11 EP claimed
WO-2001056556-A2 DUAL INHIBITORS OF CHOLESTERYL ESTER AND WAX ESTER SYNTHESIS FOR SEBACEOUS GLAND DISORDERS WARNER-LAMBERT COMPANY (US) 2001-08-09 WO claimed