SCHEMBL9306249

SCHEMBL9306249

CCOC(=O)c1ccc2sc(SC(CC(=O)O)C(=O)O)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.54
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 3/20 0.43
PTGES O14684 1/20 0.43
ALOX5 P09917 1/20 0.43
ALPL P05186 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
STAT1 P42224 1/20 0.43
PPARG P37231 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL9811162 0.86 PPARA (0.59) PPARAPPARG
SCHEMBL8972964 0.85 PPARA (0.56) PPARANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9443367 0.83 PPARA (0.54) PPARANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8972533 0.83 PPARA (0.59) PPARAALDH1A1MAPT
SCHEMBL9443213 0.83 PPARA (0.54) PPARAALDH1A1PTGESALOX5HPGD
SCHEMBL9443185 0.83 PPARA (0.54) PPARAPTGESALOX5PPARG
SCHEMBL9304890 0.80 PPARA (0.71) PPARANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10641479 0.79 LMNA (0.46) PPARANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10641498 0.79 PPARA (0.43) PPARANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL757236 0.78 PPARA (0.76) PPARASMN1; SMN2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5347008-A Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents CIBA-GEIGY CORPORATION (US) 1994-09-13 US disclosed
US-5152929-A Corrosion inhibitors for water systems CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed