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SCHEMBL7074261

SCHEMBL7074261

CCCc1cc(C(=O)c2ccccc2NO)ccc1OCCCSc1ccc(CC(=O)O)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 12/20 0.57
▸ PPARA Q07869 12/20 0.57
▸ PPARD Q03181 11/20 0.57
▸ NR1H2 P55055 2/20 0.49
▸ NR1H3 Q13133 2/20 0.49
▸ LTB4R Q15722 3/20 0.39
▸ PTGDR2 Q9Y5Y4 2/20 0.37
▸ LTB4R2 Q9NPC1 2/20 0.37
▸ CNR2 P34972 1/20 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
SCHEMBL6939543 0.89 PPARG (0.58) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL7074267 0.89 PPARA (0.61) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6934429 0.86 PPARA (0.58) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6931405 0.83 PPARD (0.69) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6934158 0.82 PPARD (0.66) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6936087 0.80 PPARD (0.71) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6936091 0.80 PPARD (0.71) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6931450 0.80 PPARG (0.61) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6936235 0.80 PPARD (0.67) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6933719 0.78 PPARG (0.81) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888278-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-07-23 — — EP claimed