SCHEMBL11529037

SCHEMBL11529037

CC(C)c1cc(S(=O)(=O)Cl)cc(C(C)C)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.54
GABRB1 P18505 5/20 0.54
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
GABRB2 P47870 3/20 0.48
GAA P10253 3/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2B6 P20813 1/20 0.43
LMNA P02545 2/20 0.41
FAAH O00519 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
GABRG2 P18507 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2C P28335 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41

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
SCHEMBL19329348 0.83 ALDH1A1 (0.40) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL6235189 0.83 CA1 (0.56) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL15840104 0.81 FABP3 (0.35) GABRA1GABRB1CA1CA2GAA
SCHEMBL15033889 0.81 CA1 (0.54) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL27602783 0.79 ALDH1A1 (0.43) GABRA1CA1CA2GABRB2GAA
SCHEMBL11525472 0.75 ACHE (0.53) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL8592065 0.75 FABP4 (0.51) GABRA1GABRB1GABRB2GAACYP1A2
SCHEMBL1762362 0.73 ALDH1A1 (0.39) CA1CA2LMNATSHRALDH1A1
SCHEMBL15613397 0.72 GABRA1 (0.52) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL22368467 0.72 HTT (0.50) CA1CA2GAALMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4164611-A ALSO ACT AS HEAT AND OXIDATION STABILIZER CIBA-GEIGY CORPORATION (US) 1979-08-14 US disclosed