SCHEMBL8972389

SCHEMBL8972389

O=C(O)C(CO)C(Sc1nc2ccccc2s1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.51
ALDH1A1 P00352 4/20 0.51
HPGD P15428 4/20 0.51
POLB P06746 3/20 0.51
MAPK1 P28482 3/20 0.51
CYP1A2 P05177 3/20 0.51
TSHR P16473 2/20 0.51
CYP2C19 P33261 2/20 0.51
HIF1A Q16665 2/20 0.51
ALOX15 P16050 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
APEX1 P27695 1/20 0.51
RECQL P46063 1/20 0.51
CYP2C9 P11712 1/20 0.51
MAPT P10636 1/20 0.49
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 3/20 0.47

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
SCHEMBL9305957 0.88 HSD17B10 (0.54) HSD17B10ALDH1A1HPGDPOLBMAPK1
SCHEMBL8971947 0.88 HSD17B10 (0.53) HSD17B10ALDH1A1HPGDPOLBMAPK1
SCHEMBL9443186 0.88 HSD17B10 (0.50) HSD17B10ALDH1A1HPGDPOLBMAPK1
SCHEMBL9305116 0.85 POLB (0.49) HSD17B10ALDH1A1HPGDPOLBMAPK1
SCHEMBL8972732 0.84 POLB (0.58) HSD17B10ALDH1A1HPGDPOLBMAPK1
SCHEMBL9306312 0.79 POLB (0.56) HSD17B10ALDH1A1HPGDPOLBMAPK1
SCHEMBL717957 0.78 LMNA (0.63) HSD17B10ALDH1A1HPGDPOLBMAPK1
SCHEMBL402778 0.78 ALDH1A1 (0.57) HSD17B10ALDH1A1HPGDPOLBMAPK1
SCHEMBL9811034 0.78 POLB (0.55) HSD17B10ALDH1A1HPGDPOLBMAPK1
SCHEMBL14156079 0.78 PPARA (0.54) HSD17B10ALDH1A1HPGDPOLBMAPK1

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 14 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
EP-0511163-B1 Pourable aqueous dispersions of polycarboxylic acid corrosion inhibitors CIBA GEIGY AG (CH) 1995-07-26 EP 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
EP-0511163-A1 Pourable aqueous dispersions of polycarboxylic acid corrosion inhibitors CIBA-GEIGY AG (CH) 1992-10-28 EP disclosed
US-5152929-A Corrosion inhibitors for water systems CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
EP-0129506-B1 HETEROCYCLICALLY SUBSTITUTED THIO(CYCLO)ALKANE POLYCARBOXYLIC ACIDS CIBA-GEIGY AG (CH) 1991-03-06 EP disclosed
EP-0375614-A1 Corrosion-inhibiting coating compositions CIBA-GEIGY AG (CH) 1990-06-27 EP disclosed
EP-0183647-B1 ANTI-CORROSIVE AQUEOUS PAINTS CIBA-GEIGY AG (CH) 1989-02-15 EP disclosed
US-4612049-A BENZOTHI ZOLYL THIO-, BENZIMIDAZOLYLTHIO- OR BENZOXAZOLYLTHIO-SUBSTITUTED CARBOXY ACID CIBA-GEIGY CORPORATION (US) 1986-09-16 US disclosed
EP-0183647-A1 Anti-corrosive aqueous paints CIBA-GEIGY AG (CH) 1986-06-04 EP disclosed
EP-0129506-A2 Heterocyclically substituted thio(cyclo)alkane polycarboxylic acids CIBA-GEIGY AG (CH) 1984-12-27 EP disclosed
EP-0128862-A2 Anti-corrosive coating composition CIBA-GEIGY AG (CH) 1984-12-19 EP disclosed