SCHEMBL7039487

SCHEMBL7039487

CCCc1c(OCCCNc2ccc(CC(=O)O)cc2Cl)ccc2c1nnn2-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 18/20 0.42
PPARA Q07869 16/20 0.42
PPARG P37231 15/20 0.42
NR1H2 P55055 7/20 0.42
NR1H3 Q13133 7/20 0.42
NR1I2 O75469 1/20 0.38
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 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
SCHEMBL8666064 0.76 PPARD (0.44) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL7040442 0.75 PPARA (0.52) PPARDPPARAPPARG
SCHEMBL7046131 0.75 PPARG (0.73) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL8443121 0.75 KDM1A (0.43) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL6559946 0.75 PPARD (0.72) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL6932993 0.73 PPARG (0.49) PPARDPPARAPPARGLTB4RLTB4R2
SCHEMBL7039181 0.72 PPARD (0.62) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL7040305 0.72 NR1H3 (0.81) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL7044750 0.70 PPARD (0.59) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL6559367 0.69 PPARG (0.47) PPARDPPARAPPARGNR1H2NR1H3

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 5 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-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