SCHEMBL8941282

SCHEMBL8941282

CC(C)c1cc(C(C)C)c(OS(=O)(=O)CC(=O)O)c(C(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 1/20 0.46
MYC P01106 1/20 0.46
SOAT1 P35610 1/20 0.46
MAP2K3 P46734 1/20 0.46
FABP3 P05413 2/20 0.46
FABP4 P15090 2/20 0.46
FABP5 Q01469 1/20 0.45
RARG P13631 4/20 0.38
RXRA P19793 4/20 0.38
PPARG P37231 4/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36

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
SCHEMBL8941146 0.83 SOAT2 (0.47) SOAT2MYCSOAT1MAP2K3
SCHEMBL8941260 0.79 SOAT2 (0.48) SOAT2MYCSOAT1MAP2K3
SCHEMBL8941259 0.78 SOAT2 (0.42) SOAT2MYCSOAT1MAP2K3
SCHEMBL8941381 0.77 SOAT1 (0.55) SOAT2MYCSOAT1MAP2K3
SCHEMBL14015388 0.76 FABP4 (0.58) SOAT2MYCSOAT1MAP2K3FABP3
SCHEMBL28812298 0.75 SOAT2 (0.43) SOAT2MYCSOAT1MAP2K3FABP3
SCHEMBL2456678 0.74 FABP4 (0.50) SOAT2MYCSOAT1MAP2K3FABP3
SCHEMBL17179591 0.73 FABP4 (0.55) SOAT2MYCSOAT1MAP2K3FABP3
SCHEMBL8498111 0.73 FABP3 (0.52) FABP3FABP4FABP5RARGRXRA
SCHEMBL8941285 0.73 FABP3 (0.46) SOAT2MYCSOAT1MAP2K3FABP3

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
WO-1996019444-A1 SULFONATE ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1996-06-27 WO disclosed
US-5510379-A USEFUL FOR TREATING HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1996-04-23 US disclosed