SCHEMBL9305853

SCHEMBL9305853

O=C(O)CC(Sc1nc2cc(C(F)(F)F)ccc2s1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.53
ALOX5 P09917 2/20 0.50
PPARG P37231 1/20 0.47
DYRK1A Q13627 1/20 0.46
AKR1B1 P15121 5/20 0.46
AKR1A1 P14550 3/20 0.44
PTGES O14684 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
SCHEMBL9811061 0.88 PPARA (0.58) PPARAALOX5PPARGDYRK1AAKR1B1
SCHEMBL757236 0.82 PPARA (0.76) PPARAALOX5
SCHEMBL8972964 0.82 PPARA (0.56) PPARAALOX5PPARGPTGES
SCHEMBL8972533 0.82 PPARA (0.59) PPARADYRK1A
SCHEMBL9443367 0.80 PPARA (0.54) PPARAALOX5PPARGPTGES
SCHEMBL9443207 0.79 PPARA (0.56) PPARAALOX5
SCHEMBL9306667 0.79 PPARA (0.57) PPARA
SCHEMBL9304890 0.79 PPARA (0.71) PPARADYRK1A
SCHEMBL402778 0.79 ALDH1A1 (0.57) PPARAALOX5
SCHEMBL9306249 0.78 PPARA (0.54) PPARAALOX5PPARGPTGES

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