SCHEMBL9305733

SCHEMBL9305733

CCc1cc2sc(SC(CC(=O)O)C(=O)O)nc2c(CC)c1CC

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 17/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
PPARG P37231 6/20 0.35
PPARD Q03181 3/20 0.35

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
SCHEMBL9307859 0.76 PPARA (0.48) PPARAKDM4EALDH1A1POLBAPOBEC3G
SCHEMBL10643485 0.76 ALDH1A1 (0.41) PPARAALDH1A1POLBPPARGPPARD
SCHEMBL10761754 0.75 LMNA (0.33) POLB
SCHEMBL9306929 0.74 SHMT2 (0.33) KDM4EALDH1A1POLBAPOBEC3GTDP1
SCHEMBL8972408 0.74 PPARA (0.56) PPARAPTGESALOX5PPARGPPARD
SCHEMBL10761750 0.73 STING1 (0.34) PPARAALDH1A1POLB
SCHEMBL9304174 0.73 PPARA (0.52) PPARAKDM4EALDH1A1POLBAPOBEC3G
SCHEMBL9305741 0.72 STING1 (0.30)
SCHEMBL10761747 0.72 ALDH1A1 (0.31) PPARAALDH1A1
SCHEMBL8972086 0.71 POLB (0.42) 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