SCHEMBL6559938

SCHEMBL6559938

CCCc1c(OCCCNc2ccc(OCC(=O)O)cc2)ccc2c(-c3ccccc3)coc12

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 20/20 0.58
PPARG P37231 19/20 0.58
PPARD Q03181 19/20 0.58
NR1H2 P55055 1/20 0.52
NR1H3 Q13133 1/20 0.52
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
NFKB1 P19838 1/20 0.45
BLM P54132 1/20 0.45

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
SCHEMBL6559323 0.92 PPARG (0.59) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL6559376 0.90 PPARA (0.70) PPARAPPARGPPARDLMNACYP1A2
SCHEMBL6560654 0.89 PPARD (0.66) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL6559335 0.85 PPARA (0.64) PPARAPPARGPPARDLMNACYP1A2
SCHEMBL7037974 0.84 PPARA (0.82) PPARAPPARGPPARD
SCHEMBL6560081 0.81 PPARA (0.71) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL6559255 0.80 PPARG (0.71) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL6559347 0.80 PPARG (0.64) PPARAPPARGPPARD
SCHEMBL6561777 0.78 PPARA (0.69) PPARAPPARGPPARD
SCHEMBL6560554 0.78 PPARA (0.59) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0904079-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2004-03-24 EP claimed
EP-0904079-A4 1999-05-06 EP claimed
EP-0904079-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-03-31 EP claimed
WO-1997027857-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO claimed
EP-0904079-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2004-03-24 EP disclosed
EP-0904079-A4 1999-05-06 EP disclosed
EP-0904079-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-03-31 EP disclosed
US-5859051-A ACETYLPHENOL DERIVATIVES MERCK & CO., INC. (US) 1999-01-12 US disclosed
WO-1997027857-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed