SCHEMBL9306667

SCHEMBL9306667

N#Cc1ccc2sc(SC(CC(=O)O)C(=O)O)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 17/20 0.57
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SLC22A12 Q96S37 2/20 0.39

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
SCHEMBL8972964 0.82 PPARA (0.56) PPARAKDM4EALDH1A1POLBAPOBEC3G
SCHEMBL757236 0.82 PPARA (0.76) PPARA
SCHEMBL8972533 0.82 PPARA (0.59) PPARAKDM4EALDH1A1POLBAPOBEC3G
SCHEMBL9443367 0.80 PPARA (0.54) PPARAKDM4EALDH1A1POLBAPOBEC3G
SCHEMBL9443207 0.79 PPARA (0.56) PPARAKDM4EALDH1A1POLBAPOBEC3G
SCHEMBL9304890 0.79 PPARA (0.71) PPARAALDH1A1
SCHEMBL9305853 0.79 PPARA (0.53) PPARA
SCHEMBL402778 0.79 ALDH1A1 (0.57) PPARAKDM4EALDH1A1POLBAPOBEC3G
Ammonia Solution, Strong SCHEMBL7033477 0.78 ALDH1A1 (0.56) PPARAKDM4EALDH1A1POLBAPOBEC3G
SCHEMBL10895810 0.78 ALDH1A1 (0.56) PPARAKDM4EALDH1A1POLBAPOBEC3G

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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