SCHEMBL11039737

SCHEMBL11039737

COc1ccc(-c2nc(SCCC=O)sc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.52
PPARA Q07869 7/20 0.52
PPARD Q03181 5/20 0.50
MAPT P10636 5/20 0.48
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
PTGS2 P35354 2/20 0.46
GAA P10253 3/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 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
SCHEMBL11039043 0.88 PPARG (0.52) PPARGPPARAPPARDMAPTALDH1A1
SCHEMBL10800272 0.85 PPARG (0.54) PPARGPPARAPPARDMAPTALDH1A1
SCHEMBL11041255 0.83 PPARG (0.53) PPARGPPARAPPARDMAPTALDH1A1
SCHEMBL10796552 0.83 PPARG (0.57) PPARGPPARAPPARDMAPTALDH1A1
SCHEMBL11040046 0.82 MAPT (0.55) PPARGPPARAPPARDMAPTALDH1A1
SCHEMBL10798526 0.82 PPARG (0.54) PPARGPPARAPPARDMAPTALDH1A1
SCHEMBL11037265 0.82 MAPT (0.61) PPARGPPARAPPARDMAPTALDH1A1
SCHEMBL11039275 0.82 PPARG (0.52) PPARGPPARAPPARDMAPTALDH1A1
SCHEMBL11040888 0.82 ALDH1A1 (0.54) PPARGPPARAPPARDMAPTALDH1A1
SCHEMBL10797270 0.81 PPARG (0.61) PPARGPPARAPPARDMAPTALDH1A1

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-4451471-A Certain 2,4,5-tri-substituted thiazoles, pharmaceutical compositions containing same and methods of using same CIBA-GEIGY CORPORATION (US) 1984-05-29 US disclosed