SCHEMBL6937833

SCHEMBL6937833

CCCc1ccc(Oc2ccccc2)cc1OCCCSc1ccc(C(C)C(=O)O)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.43
PPARG P37231 16/20 0.41
PPARA Q07869 13/20 0.41
PPARD Q03181 12/20 0.41
FFAR1 O14842 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37

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
SCHEMBL6936596 0.84 PPARG (0.59) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL14621901 0.81 PPARG (0.46) PPARGPPARAPPARD
SCHEMBL6936546 0.80 PPARG (0.49) PTGS1PPARGPPARAPPARD
SCHEMBL6939657 0.79 PPARG (0.49) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6931450 0.77 PPARG (0.61) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6939961 0.77 PPARG (0.49) PPARGPPARAPPARD
SCHEMBL6936329 0.77 PPARG (0.53) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6938586 0.77 PPARG (0.62) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL5203913 0.75 PPARG (0.52) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6937885 0.74 PPARG (0.73) PPARGPPARAPPARDNR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888278-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-07-23 EP disclosed
EP-0888278-A4 ANTIDIABETIC AGENTS MERCK & CO INC (US) 1999-06-30 EP disclosed
EP-0888278-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-01-07 EP disclosed
WO-1997028115-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed