SCHEMBL7659761

SCHEMBL7659761

CCCc1c(OCCCSc2ccc(CC(=O)O)cc2Cl)ccc(CCC=NO)c1O

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 10/20 0.70
PPARG P37231 9/20 0.70
PPARA Q07869 9/20 0.70
NR1H2 P55055 3/20 0.56
NR1H3 Q13133 3/20 0.56
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38

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
SCHEMBL8439533 0.96 PPARD (0.69) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL8443731 0.93 PPARG (0.60) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL8442424 0.92 PPARG (0.59) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL8443096 0.91 PPARD (0.61) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL8439174 0.90 PPARD (0.56) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL8442484 0.89 PPARD (0.53) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL8443384 0.89 PPARD (0.55) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL8443337 0.89 PPARD (0.72) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL8442985 0.88 PPARG (0.58) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL8443074 0.88 PPARG (0.57) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888278-A4 ANTIDIABETIC AGENTS MERCK & CO INC (US) 1999-06-30 EP claimed
EP-0888278-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-01-07 EP claimed
WO-1997028115-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO claimed
EP-1259233-A1 MODULATION OF BONE FORMATION THE UNIVERSITY OF SHEFFIELD (GB) 2002-11-27 EP disclosed
WO-2001060355-A1 MODULATION OF BONE FORMATION UNIVERSITY OF SHEFFIELD (GB) 2001-08-23 WO disclosed
EP-0888278-A4 ANTIDIABETIC AGENTS MERCK & CO INC (US) 1999-06-30 EP disclosed
EP-0888278-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-01-07 EP disclosed
WO-1997028115-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed
WO-1997028149-A1 METHOD FOR RAISING HDL CHOLESTEROL LEVELS MERCK & CO., INC. (US) 1997-08-07 WO disclosed