SCHEMBL6936046

SCHEMBL6936046

CCC(=NO)c1ccc(OCCCSc2ccc(C(C)C(=O)O)cc2Cl)c(CC2CC2)c1O

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.60
PPARD Q03181 8/20 0.60
PPARA Q07869 8/20 0.60
CYSLTR1 Q9Y271 3/20 0.38
CYSLTR2 Q9NS75 2/20 0.38
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
LTB4R Q15722 3/20 0.31
LTB4R2 Q9NPC1 2/20 0.31
TBXAS1 P24557 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31

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
SCHEMBL6938923 0.91 PPARG (0.57) PPARGPPARDPPARACYSLTR1CYSLTR2
SCHEMBL6938970 0.89 PPARG (0.75) PPARGPPARDPPARACYSLTR1CYSLTR2
SCHEMBL6936047 0.88 PPARG (0.62) PPARGPPARDPPARACYSLTR1CYSLTR2
SCHEMBL6936610 0.87 PPARG (0.80) PPARGPPARDPPARACYSLTR1CYSLTR2
SCHEMBL6936607 0.87 PPARG (0.80) PPARGPPARDPPARACYSLTR1CYSLTR2
SCHEMBL6938100 0.84 PPARG (0.69) PPARGPPARDPPARACYSLTR1CYSLTR2
SCHEMBL6937554 0.84 PPARG (0.68) PPARGPPARDPPARACYSLTR1CYSLTR2
SCHEMBL6937558 0.84 PPARG (0.68) PPARGPPARDPPARACYSLTR1CYSLTR2
SCHEMBL6939647 0.81 PPARG (0.62) PPARGPPARDPPARACYSLTR1CYSLTR2
SCHEMBL6936040 0.80 PPARG (0.63) PPARGPPARDPPARACYSLTR1CYSLTR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888278-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-07-23 EP claimed