SCHEMBL10801302

SCHEMBL10801302

COc1ccc(-c2nc(SCC(=O)O)sc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 7/20 0.61
PPARG P37231 7/20 0.60
PPARA Q07869 7/20 0.60
PTGS2 P35354 1/20 0.58
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52
PTGDR2 Q9Y5Y4 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAP3K8 P41279 1/20 0.49

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
SCHEMBL11754768 0.96 PPARD (0.58) PPARDPPARGPPARAPTGS2ALDH1A1
SCHEMBL11752001 0.96 PPARD (0.58) PPARDPPARGPPARAPTGS2ALDH1A1
SCHEMBL11754185 0.94 PPARD (0.61) PPARDPPARGPPARAPTGS2LMNA
SCHEMBL11754256 0.94 PPARD (0.61) PPARDPPARGPPARAPTGS2LMNA
SCHEMBL11040651 0.91 PPARD (0.56) PPARDPPARGPPARAPTGS2ALDH1A1
SCHEMBL10797270 0.88 PPARG (0.61) PPARDPPARGPPARAPTGS2ALDH1A1
SCHEMBL11753666 0.86 PPARG (0.48) PPARDPPARGPPARAPTGS2ALDH1A1
SCHEMBL10969883 0.86 PPARG (0.66) PPARDPPARGPPARAPTGS2ALDH1A1
SCHEMBL9729986 0.85 ALDH1A1 (0.65) PPARDPPARGPPARAPTGS2ALDH1A1
SCHEMBL11747943 0.85 PPARD (0.45) PPARDPPARGPPARAPTGS2LMNA

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-4711879-A IMMUNO-MODULATING ACTIVITY CIBA-GEIGY CORPORATION (US) 1987-12-08 US claimed
US-4640911-A IMMUNOSTIMULANTS, VIRICIDES SUCH AS HERPES SIMPLEX CIBA-GEIGY CORPORATION (US) 1987-02-03 US claimed
US-4711879-A IMMUNO-MODULATING ACTIVITY CIBA-GEIGY CORPORATION (US) 1987-12-08 US disclosed
US-4640911-A IMMUNOSTIMULANTS, VIRICIDES SUCH AS HERPES SIMPLEX CIBA-GEIGY CORPORATION (US) 1987-02-03 US disclosed
US-4451471-A Certain 2,4,5-tri-substituted thiazoles, pharmaceutical compositions containing same and methods of using same CIBA-GEIGY CORPORATION (US) 1984-05-29 US disclosed
US-4051250-A OXAZOLE, THIAZOLE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-09-27 US disclosed
US-3933840-A ANTIPHLOGISTIC MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1976-01-20 US disclosed