SCHEMBL8971875

SCHEMBL8971875

O=C(O)CC(C(=O)O)C(CSc1nc2ccccc2s1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
POLB P06746 2/20 0.60
MAPK1 P28482 2/20 0.60
HPGD P15428 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
TSHR P16473 1/20 0.60
HSD17B10 Q99714 1/20 0.60
APEX1 P27695 2/20 0.57
RECQL P46063 1/20 0.57
MAPT P10636 1/20 0.54
CYP1A2 P05177 3/20 0.52
CYP2D6 P10635 3/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C19 P33261 2/20 0.52
HIF1A Q16665 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52

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
SCHEMBL10597154 0.90 ALDH1A1 (0.56) ALDH1A1POLBMAPK1HPGDSMN1; SMN2
SCHEMBL9811169 0.87 MAPT (0.58) ALDH1A1POLBMAPK1HPGDSMN1; SMN2
Ammonia Solution, Strong SCHEMBL10597225 0.87 ALDH1A1 (0.60) ALDH1A1POLBMAPK1HPGDSMN1; SMN2
Ammonia Solution, Strong SCHEMBL10895431 0.87 ALDH1A1 (0.60) ALDH1A1POLBMAPK1HPGDSMN1; SMN2
SCHEMBL8972076 0.86 ALDH1A1 (0.61) ALDH1A1POLBMAPK1HPGDSMN1; SMN2
Ammonia Solution, Strong SCHEMBL9811140 0.85 POLB (0.52) ALDH1A1POLBMAPK1HPGDSMN1; SMN2
SCHEMBL10358412 0.85 ALDH1A1 (0.60) ALDH1A1POLBMAPK1HPGDSMN1; SMN2
SCHEMBL10892449 0.85 ALDH1A1 (0.60) ALDH1A1POLBMAPK1HPGDSMN1; SMN2
SCHEMBL10890573 0.85 ALDH1A1 (0.60) ALDH1A1POLBMAPK1HPGDSMN1; SMN2
SCHEMBL10890577 0.85 ALDH1A1 (0.60) ALDH1A1POLBMAPK1HPGDSMN1; SMN2

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 17 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-4696763-A PAINTS, BLENDS CIBA-GEIGY CORPORATION (US) 1987-09-29 US disclosed
US-4612378-A Process for the preparation of β-(benzothiazolylthio)- and β-(benzimidazolylthio-carboxylic acids CIBA-GEIGY CORPORATION (US) 1986-09-16 US 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
EP-0126030-A2 Process for the preparation of beta-(benzothiazolylthio) and beta-(benzimidazolylthio) carboxylic acids CIBA-GEIGY AG (CH) 1984-11-21 EP disclosed