SCHEMBL8720137

SCHEMBL8720137

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

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 3/20 0.58
FABP3 P05413 2/20 0.58
FABP5 Q01469 1/20 0.58
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
GAA P10253 1/20 0.39
HDAC1 Q13547 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
SOAT2 O75908 1/20 0.37
MYC P01106 1/20 0.37
SOAT1 P35610 1/20 0.37
MAP2K3 P46734 1/20 0.37
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
PGR P06401 1/20 0.34
EPHX2 P34913 1/20 0.34

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
SCHEMBL8962404 0.76 FABP3 (0.46) FABP4FABP3FABP5GABRA1GABRB2
SCHEMBL8707984 0.76 SOAT2 (0.41) FABP4FABP3FABP5GAAHDAC1
SCHEMBL5188630 0.75 ALDH1A1 (0.54) FABP4FABP3FABP5GAAALDH1A1
SCHEMBL15761588 0.75 FABP3 (0.43) FABP4FABP3FABP5GAATDP1
SCHEMBL86091 0.74 FABP4 (1.00) FABP4FABP3FABP5GABRA1GABRB2
SCHEMBL24413822 0.73 GABRA1 (0.45) FABP4FABP3FABP5GABRA1GABRB2
Hydrochloric Acid SCHEMBL6374692 0.72 FABP4 (0.96) FABP4FABP3FABP5GABRA1GABRB2
Ammonia Solution, Strong SCHEMBL17985319 0.72 FABP4 (0.96) FABP4FABP3FABP5GABRA1GABRB2
SCHEMBL2322601 0.72 FABP4 (0.96) FABP4FABP3FABP5GABRA1GABRB2
SCHEMBL28654070 0.72 FABP4 (0.96) FABP4FABP3FABP5GABRA1GABRB2

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-0858336-A1 METHOD AND PHARMACEUTICAL COMPOSITION FOR REGULATING LIPID CONCENTRATION WARNER-LAMBERT COMPANY (US) 1998-08-19 EP claimed
WO-1997016184-A1 METHOD AND PHARMACEUTICAL COMPOSITION FOR REGULATING LIPID CONCENTRATION WARNER-LAMBERT COMPANY (US) 1997-05-09 WO claimed