SCHEMBL8972086

SCHEMBL8972086

CC(C)c1cccc2sc(SC(CC(=O)O)C(=O)O)nc12

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PPARA Q07869 8/20 0.41

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
SCHEMBL8972777 0.83 GAA (0.44) POLBKDM4EALDH1A1APOBEC3GTDP1
SCHEMBL10640142 0.82 SOAT1 (0.36) POLBALDH1A1PPARA
SCHEMBL9307545 0.81 POLB (0.42) POLBKDM4EALDH1A1APOBEC3GTDP1
SCHEMBL402778 0.77 ALDH1A1 (0.57) POLBKDM4EALDH1A1APOBEC3GTDP1
SCHEMBL9443105 0.77 PPARA (0.46) POLBKDM4EALDH1A1APOBEC3GTDP1
Ammonia Solution, Strong SCHEMBL7033477 0.76 ALDH1A1 (0.56) POLBKDM4EALDH1A1APOBEC3GTDP1
SCHEMBL10895810 0.76 ALDH1A1 (0.56) POLBKDM4EALDH1A1APOBEC3GTDP1
SCHEMBL10893548 0.76 ALDH1A1 (0.56) POLBKDM4EALDH1A1APOBEC3GTDP1
SCHEMBL28421418 0.76 ALDH1A1 (0.56) POLBKDM4EALDH1A1APOBEC3GTDP1
SCHEMBL10761060 0.76 MAPT (0.38) POLBALDH1A1

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