SCHEMBL8972792

SCHEMBL8972792

CC(C(=O)O)C(Sc1nc2ccccc2o1)C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
RAB9A P51151 8/20 0.49
KMT2A Q03164 5/20 0.49
NPC1 O15118 5/20 0.49
MEN1 O00255 3/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 5/20 0.48
TSHR P16473 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
GFER P55789 1/20 0.46
ELANE P08246 1/20 0.46
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
F2 P00734 1/20 0.44
LMNA P02545 1/20 0.44
MIF P14174 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PPARG P37231 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
SCHEMBL9307413 0.84 KMT2A (0.50) ALDH1A1RAB9AKMT2ANPC1MEN1
SCHEMBL9306265 0.83 ALDH1A1 (0.51) ALDH1A1RAB9AKMT2ANPC1MEN1
SCHEMBL9305001 0.82 KMT2A (0.56) ALDH1A1RAB9AKMT2ANPC1MEN1
SCHEMBL10866052 0.80 KMT2A (0.49) ALDH1A1RAB9AKMT2ANPC1MEN1
SCHEMBL8971845 0.80 KMT2A (0.49) ALDH1A1RAB9AKMT2ANPC1MEN1
SCHEMBL9307681 0.80 TOP2A (0.41) ALDH1A1KMT2AMEN1HPGDELANE
SCHEMBL9304671 0.80 ALDH1A1 (0.48) ALDH1A1RAB9AKMT2ANPC1MEN1
SCHEMBL8972330 0.78 KMT2A (0.52) ALDH1A1RAB9AKMT2ANPC1MEN1
SCHEMBL10889085 0.78 ALDH1A1 (0.55) ALDH1A1RAB9AKMT2ANPC1MEN1
SCHEMBL18013085 0.77 ELANE (0.61) ALDH1A1RAB9AKMT2ANPC1MEN1

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 9 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-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
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