SCHEMBL11099548

SCHEMBL11099548

CC(C)(Cl)[C@H]1CC(=O)O[C@@H]1O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
PRKACA P17612 1/20 0.32
AKT1 P31749 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
PPARG P37231 1/20 0.30
CASP3 P42574 2/20 0.30
CASP1 P29466 1/20 0.30
CASP8 Q14790 1/20 0.30

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
SCHEMBL10988327 1.00 SMN1; SMN2 (0.38) SMN1; SMN2THRBALOX15PRKACAAKT1
SCHEMBL10994153 0.82 SMN1; SMN2 (0.39) SMN1; SMN2THRBALOX15PPARGCASP3
SCHEMBL11164315 0.68 CASP1 (0.37) SMN1; SMN2ALDH1A1GAACASP1CASP8
SCHEMBL2877317 0.67
SCHEMBL12831177 0.67
SCHEMBL12831619 0.67
SCHEMBL12831179 0.67
SCHEMBL13424256 0.66
SCHEMBL6433646 0.66
SCHEMBL1106080 0.64 THRB (0.40) SMN1; SMN2THRBALOX15ALDH1A1

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
EP-0057491-B1 HALOGENATED DERIVATIVES OF 5-HYDROXY-TETRAHYDRO-2-FURANONE ROUSSEL-UCLAF (FR) 1984-08-01 EP disclosed