SCHEMBL6560623

SCHEMBL6560623

CCCc1c(CCN)cccc1OCCCSc1ccc(OC(=O)CC)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 9/20 0.47
PPARG P37231 8/20 0.47
PPARA Q07869 8/20 0.47
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
LTB4R Q15722 5/20 0.38
LTB4R2 Q9NPC1 2/20 0.38
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 1/20 0.35
GLA P06280 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGS2 P35354 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
SCHEMBL6560130 0.85 PPARG (0.42) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6559254 0.83 PPARD (0.46) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL7907629 0.79 NPC1 (0.41) PPARDPPARGPPARANPC1LMNA
SCHEMBL6934155 0.78 PPARG (0.65) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL8439203 0.78 PPARG (0.52) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6939961 0.78 PPARG (0.49) PPARDPPARGPPARA
SCHEMBL6560087 0.78 PPARG (0.43) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6939084 0.77 PPARG (0.60) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL7043241 0.77 PPARG (0.74) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL8665584 0.77 PPARG (0.52) PPARDPPARGPPARANR1H2NR1H3

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-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