SCHEMBL10969883

SCHEMBL10969883

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

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.66
PPARA Q07869 7/20 0.66
PPARD Q03181 7/20 0.58
PTGS2 P35354 1/20 0.55
MAPT P10636 3/20 0.52
ALDH1A1 P00352 2/20 0.52
GAA P10253 2/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP1A2 P05177 1/20 0.48
CYP2E1 P05181 1/20 0.48
CYP2C8 P10632 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2B6 P20813 1/20 0.48
CYP2C19 P33261 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.48

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
SCHEMBL10797270 0.93 PPARG (0.61) PPARGPPARAPPARDPTGS2MAPT
SCHEMBL10801302 0.86 PPARD (0.61) PPARGPPARAPPARDPTGS2MAPT
SCHEMBL10965032 0.86 HRH3 (0.58) PPARGPPARAPTGS2MAPTALDH1A1
SCHEMBL10796557 0.85 PPARG (0.57) PPARGPPARAPPARDPTGS2MAPT
SCHEMBL10796552 0.85 PPARG (0.57) PPARGPPARAPPARDPTGS2MAPT
SCHEMBL11752001 0.83 PPARD (0.58) PPARGPPARAPPARDPTGS2MAPT
SCHEMBL11754768 0.83 PPARD (0.58) PPARGPPARAPPARDPTGS2MAPT
SCHEMBL11040651 0.82 PPARD (0.56) PPARGPPARAPPARDPTGS2MAPT
SCHEMBL10798526 0.82 PPARG (0.54) PPARGPPARAPPARDPTGS2MAPT
SCHEMBL10800272 0.82 PPARG (0.54) PPARGPPARAPPARDPTGS2MAPT

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-0137426-A2 2-Mercaptothiazole derivatives, process for their preparation and utilization of 2-mercaptothiazole derivatives in pharmaceutical compounds BAYER AG (DE) 1985-04-17 EP disclosed