SCHEMBL6561689

SCHEMBL6561689

CCCc1c(OCCCOc2ccc(OCC(=O)O)cc2)ccc2c(-c3ccccc3)csc12

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.62
PPARG P37231 15/20 0.62
PPARD Q03181 15/20 0.62
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
CYSLTR2 Q9NS75 3/20 0.49
CYSLTR1 Q9Y271 3/20 0.49

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
SCHEMBL6559159 0.90 PPARA (0.63) PPARAPPARGPPARD
SCHEMBL6559376 0.82 PPARA (0.70) PPARAPPARGPPARDCYP1A2MAPT
SCHEMBL7046012 0.78 PPARA (0.70) PPARAPPARGPPARDCYP1A2MAPT
SCHEMBL6560086 0.78 PPARD (0.59) PPARAPPARGPPARD
SCHEMBL7041506 0.77 PPARA (0.64) PPARAPPARGPPARDCYP1A2MAPT
SCHEMBL7038856 0.77 PPARA (1.00) PPARAPPARGPPARD
SCHEMBL5209680 0.76 PPARG (0.57) PPARAPPARGPPARD
SCHEMBL6559223 0.74 PPARA (0.50) PPARAPPARGPPARD
SCHEMBL6559335 0.74 PPARA (0.64) PPARAPPARGPPARDCYP1A2MAPT
SCHEMBL6560614 0.74 PPARD (0.75) 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