SCHEMBL9304890

SCHEMBL9304890

COc1ccc2sc(SC(CC(=O)O)C(=O)O)nc2c1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.71
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
CA9 Q16790 1/20 0.49
DYRK1A Q13627 2/20 0.47
PDK1 Q15118 1/20 0.44
PKM P14618 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
SCHEMBL8972971 0.91 PPARA (0.64) PPARANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8972533 0.84 PPARA (0.59) PPARAALDH1A1DYRK1A
SCHEMBL8972964 0.82 PPARA (0.56) PPARANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL757236 0.82 PPARA (0.76) PPARASMN1; SMN2
SCHEMBL9443207 0.81 PPARA (0.56) PPARAALDH1A1
SCHEMBL9306249 0.80 PPARA (0.54) PPARANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9443367 0.80 PPARA (0.54) PPARANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9305807 0.80 PPARA (0.82) PPARANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9443185 0.80 PPARA (0.54) PPARADYRK1A
SCHEMBL10643855 0.79 PPARA (0.58) PPARANPC1RAB9ASMN1; SMN2ALDH1A1

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 6 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
EP-0375614-B1 CORROSION-INHIBITING COATING COMPOSITIONS CIBA-GEIGY AG (CH) 1993-03-31 EP disclosed
US-5198482-A Benzothiazole carboxylic acid amine salt CIBA-GEIGY CORPORATION (US) 1993-03-30 US disclosed
US-5152929-A Corrosion inhibitors for water systems CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
EP-0375614-A1 Corrosion-inhibiting coating compositions CIBA-GEIGY AG (CH) 1990-06-27 EP disclosed
US-4612049-A BENZOTHI ZOLYL THIO-, BENZIMIDAZOLYLTHIO- OR BENZOXAZOLYLTHIO-SUBSTITUTED CARBOXY ACID CIBA-GEIGY CORPORATION (US) 1986-09-16 US disclosed