SCHEMBL8972971

SCHEMBL8972971

COc1ccc2nc(SC(CC(=O)O)C(=O)O)sc2c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.64
PDK1 Q15118 1/20 0.56
STAT3 P40763 1/20 0.48
ATAD2 Q6PL18 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
DYRK1A Q13627 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
CASP2 P42575 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL9304890 0.91 PPARA (0.71) PPARAPDK1NPC1RAB9ADYRK1A
SCHEMBL9305807 0.89 PPARA (0.82) PPARANPC1RAB9AHTTSMN1; SMN2
SCHEMBL8972408 0.82 PPARA (0.56) PPARANPC1RAB9ASMN1; SMN2
SCHEMBL8972429 0.82 PPARA (0.62) PPARA
SCHEMBL8973281 0.82 MEN1 (0.54) PPARANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL9443148 0.81 PTGES (0.55) PPARALMNA
SCHEMBL9443180 0.81 PPARA (0.52) PPARANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL9304174 0.79 PPARA (0.52) PPARAALDH1A1
SCHEMBL11366252 0.79 PPARA (0.60) PPARAPDK1ATAD2NPC1RAB9A
SCHEMBL402778 0.79 ALDH1A1 (0.57) PPARAPDK1NPC1RAB9ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5549847-A STIRRING A FILTER CAKE OF CORROSION INHIBITOR WITH DISPERSANT AND THICKENER; STORAGE STABILITY CIBA-GEIGY CORPORATION (US) 1996-08-27 US disclosed
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