SCHEMBL7046012

SCHEMBL7046012

CCCc1c(OCCCOc2ccc(OCC(=O)O)cc2)ccc2c(-c3ccccc3)n[nH]c12

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 19/20 0.70
PPARG P37231 18/20 0.70
PPARD Q03181 18/20 0.70
CYP1A2 P05177 2/20 0.55
MAPT P10636 2/20 0.55
LMNA P02545 1/20 0.55
CYP2C9 P11712 1/20 0.55
NFKB1 P19838 1/20 0.55
BLM P54132 1/20 0.55
MEN1 O00255 1/20 0.52
TSHR P16473 1/20 0.52
KMT2A Q03164 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL7041791 0.91 PPARA (0.70) PPARAPPARGPPARD
SCHEMBL7041506 0.83 PPARA (0.64) PPARAPPARGPPARDCYP1A2MAPT
SCHEMBL7040890 0.83 PPARA (0.71) PPARAPPARGPPARD
SCHEMBL7038856 0.82 PPARA (1.00) PPARAPPARGPPARD
SCHEMBL7038241 0.79 PPARD (0.61) PPARAPPARGPPARD
SCHEMBL6559376 0.78 PPARA (0.70) PPARAPPARGPPARDCYP1A2MAPT
SCHEMBL6561689 0.78 PPARA (0.62) PPARAPPARGPPARDCYP1A2MAPT
SCHEMBL7044493 0.77 PPARG (0.56) PPARAPPARGPPARD
SCHEMBL7040314 0.76 PPARA (0.55) PPARAPPARGPPARD
SCHEMBL7041790 0.75 PPARA (0.64) PPARAPPARGPPARD

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
EP-0882029-B1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO INC (US) 2003-04-02 EP claimed
EP-0882029-A1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS Merck & Co., Inc. (US) 1998-12-09 EP claimed
WO-1997028137-A1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO., INC. (US) 1997-08-07 WO claimed
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