SCHEMBL10796552

SCHEMBL10796552

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

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.57
PPARA Q07869 7/20 0.57
PPARD Q03181 5/20 0.51
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
PTGS2 P35354 1/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 2/20 0.47
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
PTGES O14684 2/20 0.44

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
SCHEMBL10800272 0.92 PPARG (0.54) PPARGPPARAPPARDKDM4EALDH1A1
SCHEMBL10796557 0.86 PPARG (0.57) PPARGPPARAPPARDKDM4EALDH1A1
SCHEMBL10969883 0.85 PPARG (0.66) PPARGPPARAPPARDKDM4EALDH1A1
SCHEMBL11041255 0.85 PPARG (0.53) PPARGPPARAPPARDKDM4EALDH1A1
SCHEMBL10798526 0.83 PPARG (0.54) PPARGPPARAPPARDKDM4EALDH1A1
SCHEMBL11040046 0.83 MAPT (0.55) PPARGPPARAPPARDKDM4EALDH1A1
SCHEMBL11037265 0.83 MAPT (0.61) PPARGPPARAPPARDKDM4EALDH1A1
SCHEMBL11039275 0.83 PPARG (0.52) PPARGPPARAPPARDKDM4EALDH1A1
SCHEMBL11040888 0.83 ALDH1A1 (0.54) PPARGPPARAPPARDKDM4EALDH1A1
SCHEMBL11039737 0.83 PPARG (0.52) PPARGPPARAPPARDKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4711879-A IMMUNO-MODULATING ACTIVITY CIBA-GEIGY CORPORATION (US) 1987-12-08 US claimed
US-4640911-A IMMUNOSTIMULANTS, VIRICIDES SUCH AS HERPES SIMPLEX CIBA-GEIGY CORPORATION (US) 1987-02-03 US claimed
EP-0163286-A2 Acylated sugars, method for their preparation and their use CIBA-GEIGY AG (CH) 1985-12-04 EP claimed
US-4711879-A IMMUNO-MODULATING ACTIVITY CIBA-GEIGY CORPORATION (US) 1987-12-08 US disclosed
US-4640911-A IMMUNOSTIMULANTS, VIRICIDES SUCH AS HERPES SIMPLEX CIBA-GEIGY CORPORATION (US) 1987-02-03 US disclosed