SCHEMBL25824251

SCHEMBL25824251

CCOC(=O)COc1cc(S)cc(OCC(=O)OCC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.53
NPSR1 Q6W5P4 2/20 0.53
KDM4E B2RXH2 5/20 0.50
HSD17B10 Q99714 4/20 0.50
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
HPGD P15428 6/20 0.46
ALDH1A1 P00352 5/20 0.43
MAPT P10636 3/20 0.43
TP53 P04637 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
LMNA P02545 1/20 0.43
NTSR1 P30989 1/20 0.43
GLA P06280 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL5356914 0.84 SMN1; SMN2 (0.55) GAANPSR1KDM4EHSD17B10PPARG
SCHEMBL1573002 0.84 SMN1; SMN2 (0.55) GAANPSR1KDM4EHSD17B10PPARG
SCHEMBL3275530 0.82 GAA (0.66) GAANPSR1KDM4EHSD17B10PPARG
SCHEMBL5361832 0.81 GAA (0.56) GAANPSR1KDM4EHSD17B10PPARG
SCHEMBL7976099 0.81 GAA (0.51) GAANPSR1KDM4EHSD17B10PPARG
SCHEMBL9863137 0.80 PPARA (0.67) GAANPSR1KDM4EHSD17B10PPARG
SCHEMBL7441096 0.80 GAA (0.54) GAANPSR1KDM4EHSD17B10PPARG
SCHEMBL21241110 0.79 SMN1; SMN2 (0.51) GAANPSR1KDM4EHSD17B10PPARG
SCHEMBL25226906 0.79 GAA (0.53) GAANPSR1KDM4EHSD17B10PPARG
SCHEMBL5360710 0.79 GAA (0.53) GAANPSR1KDM4EHSD17B10PPARG

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
WO-2023118596-A1 NOVEL USE OF DIACID COMPOUNDS IN THE FIELD OF COATING SURFACES ORPIA INNOVATION (FR) 2023-06-29 WO disclosed