SCHEMBL8972076

SCHEMBL8972076

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
HPGD P15428 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
POLB P06746 2/20 0.61
MAPK1 P28482 2/20 0.61
HSD17B10 Q99714 2/20 0.61
TSHR P16473 1/20 0.61
APEX1 P27695 2/20 0.58
RECQL P46063 1/20 0.58
MAPT P10636 2/20 0.56
CYP1A2 P05177 3/20 0.54
CYP2D6 P10635 3/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C19 P33261 2/20 0.54
HIF1A Q16665 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALOX5 P09917 4/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
KMT2A Q03164 2/20 0.53

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
SCHEMBL10890577 0.99 ALDH1A1 (0.60) ALDH1A1HPGDSMN1; SMN2POLBMAPK1
SCHEMBL10892449 0.99 ALDH1A1 (0.60) ALDH1A1HPGDSMN1; SMN2POLBMAPK1
SCHEMBL10890573 0.99 ALDH1A1 (0.60) ALDH1A1HPGDSMN1; SMN2POLBMAPK1
Ammonia Solution, Strong SCHEMBL10895431 0.99 ALDH1A1 (0.60) ALDH1A1HPGDSMN1; SMN2POLBMAPK1
Ammonia Solution, Strong SCHEMBL10597225 0.99 ALDH1A1 (0.60) ALDH1A1HPGDSMN1; SMN2POLBMAPK1
Dimethylamine SCHEMBL10597344 0.95 POLB (0.56) ALDH1A1HPGDSMN1; SMN2POLBMAPK1
Dimethylamine SCHEMBL10890186 0.95 POLB (0.56) ALDH1A1HPGDSMN1; SMN2POLBMAPK1
Butane SCHEMBL10756724 0.95 ALDH1A1 (0.56) ALDH1A1HPGDSMN1; SMN2POLBMAPK1
SCHEMBL10889000 0.91 ALOX5 (0.53) ALDH1A1HPGDSMN1; SMN2POLBMAPK1
Trolamine SCHEMBL10596940 0.91 SMN1; SMN2 (0.52) ALDH1A1HPGDSMN1; SMN2POLBMAPK1

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 22 patents — showing the first 20. 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-0161222-B1 HETEROCYCLIC MERCAPTOCARBOXYLIC-ACID AMIDES, IMIDES AND NITRILES AS CORROSION INHIBITING AGENTS CIBA-GEIGY AG (CH) 1990-10-10 EP disclosed
EP-0375614-A1 Corrosion-inhibiting coating compositions CIBA-GEIGY AG (CH) 1990-06-27 EP disclosed
US-4719036-A PAINTS; METAL WORKING CIBA-GEIGY CORPORATION (US) 1988-01-12 US 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-0161219-A2 Heterocyclic mercaptocarboxylic-acid esters and anhydrides as corrosion inhibiting agents CIBA-GEIGY AG (CH) 1985-11-13 EP disclosed
EP-0161222-A2 Heterocyclic mercaptocarboxylic-acid amides, imides and nitriles as corrosion inhibiting agents CIBA-GEIGY AG (CH) 1985-11-13 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