SCHEMBL7044510

SCHEMBL7044510

CCCc1c(O)ccc2c(Cc3ccc(Cl)cc3)noc12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.39
PPARG P37231 4/20 0.38
PPARA Q07869 4/20 0.38
PPARD Q03181 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
ERCC1 P07992 2/20 0.38
ERCC4 Q92889 2/20 0.38
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33

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
SCHEMBL7039280 0.87 PPARA (0.42) PPARGPPARAPPARDMAPTSMN1; SMN2
SCHEMBL1995855 0.81 PPARA (0.44) PPARGPPARAPPARDKMT2ASMN1; SMN2
SCHEMBL5208846 0.77 PPARG (0.44) PPARGPPARAPPARDKDM4EALDH1A1
SCHEMBL2000748 0.76 GRM2 (0.48) PPARGPPARAPPARDKMT2ANR1H2
SCHEMBL5210820 0.75 PPARA (0.43) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL7039212 0.74 PPARA (0.38) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL1400579 0.74 PPARD (0.39) PPARGPPARAPPARDKMT2ANR1H2
SCHEMBL5210825 0.72 PPARG (0.45) PPARGPPARAPPARD
SCHEMBL1941899 0.72 ALDH1A1 (0.34) PPARGPPARAPPARDMEN1NPC1
SCHEMBL5210388 0.71 PPARA (0.41) 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-0882029-B1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO INC (US) 2003-04-02 EP disclosed
US-6090836-A DIETETICS; ADJUSTMENT OF TRIGLYCERIDE CONCENTRATION MERCK & CO., INC. (US) 2000-07-18 US disclosed
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