SCHEMBL9306461

SCHEMBL9306461

CC(C)(C)CC(C)(C)c1ccc2nc(SC(CC(=O)O)C(=O)O)sc2c1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.52
ALOX5 P09917 1/20 0.52
PPARA Q07869 19/20 0.49
PPARG P37231 14/20 0.49
PPARD Q03181 8/20 0.48

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
SCHEMBL9443180 0.79 PPARA (0.52) PTGESALOX5PPARAPPARGPPARD
SCHEMBL8972408 0.79 PPARA (0.56) PTGESALOX5PPARAPPARGPPARD
SCHEMBL8973281 0.78 MEN1 (0.54) PTGESALOX5PPARAPPARGPPARD
SCHEMBL8972429 0.78 PPARA (0.62) PPARAPPARGPPARD
SCHEMBL8972971 0.78 PPARA (0.64) PPARA
SCHEMBL9443148 0.78 PTGES (0.55) PTGESALOX5PPARAPPARGPPARD
SCHEMBL10762518 0.78 PPARA (0.48) PTGESALOX5PPARAPPARGPPARD
SCHEMBL11020694 0.77 PPARA (0.42) PTGESALOX5PPARAPPARGPPARD
SCHEMBL10644783 0.77 NPC1 (0.41) PTGESALOX5PPARAPPARGPPARD
SCHEMBL9734571 0.77 RAB9A (0.34) PTGESALOX5PPARAPPARG

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