SCHEMBL8669147

SCHEMBL8669147

CCCc1c(OCCCOc2c(Cl)cc(C(=O)O)c(Cl)c2C)ccc2c(CC)noc12.CCCc1c(OCCCOc2c(Cl)cc(C(=O)O)cc2Cl)ccc2c(CC)noc12

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.53
PPARD Q03181 16/20 0.53
PPARG P37231 15/20 0.53
NR1H2 P55055 7/20 0.46
NR1H3 Q13133 7/20 0.46

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
SCHEMBL7041538 0.96 PPARD (0.57) PPARAPPARDPPARGNR1H2NR1H3
SCHEMBL7041527 0.92 PPARA (0.61) PPARAPPARDPPARGNR1H2NR1H3
SCHEMBL7042217 0.89 PPARD (0.57) PPARAPPARDPPARGNR1H2NR1H3
SCHEMBL7040338 0.84 PPARD (0.54) PPARAPPARDPPARGNR1H2NR1H3
SCHEMBL7042213 0.83 PPARD (0.57) PPARAPPARDPPARGNR1H2NR1H3
SCHEMBL7046138 0.83 PPARD (0.61) PPARAPPARDPPARGNR1H2NR1H3
SCHEMBL7040326 0.82 PPARD (0.53) PPARAPPARDPPARGNR1H2NR1H3
SCHEMBL7042917 0.81 PPARD (0.73) PPARAPPARDPPARGNR1H2NR1H3
SCHEMBL7039457 0.81 PPARD (0.55) PPARAPPARDPPARGNR1H2NR1H3
SCHEMBL7041536 0.76 PPARD (0.57) PPARAPPARDPPARGNR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882029-A1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS Merck & Co., Inc. (US) 1998-12-09 EP disclosed
WO-1997028137-A1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed