SCHEMBL11076522

SCHEMBL11076522

CCCc1c(OCCCSc2ccc(C(O)C(C)(C)CC(=O)O)cc2Cl)ccc(C(C)=O)c1O.[NaH]

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.69
PPARD Q03181 5/20 0.69
PPARA Q07869 5/20 0.69
CYSLTR2 Q9NS75 13/20 0.57
CYSLTR1 Q9Y271 13/20 0.57
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
NFKB1 P19838 1/20 0.47
BLM P54132 1/20 0.47
GRM2 Q14416 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
SCHEMBL9733715 0.99 PPARG (0.70) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL10918763 0.98 PPARG (0.69) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL10919586 0.92 CYSLTR2 (0.59) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL10699758 0.91 PPARG (0.63) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL10921407 0.91 CYSLTR2 (0.57) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL10920440 0.91 CYSLTR2 (0.57) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL10919588 0.90 CYSLTR2 (0.59) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL10919215 0.90 CYSLTR2 (0.58) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL9734868 0.90 CYSLTR2 (0.58) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL10923266 0.89 CYSLTR2 (0.56) PPARGPPARDPPARACYSLTR2CYSLTR1

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-0104885-A1 Leukotriene antagonists, their production, and compositions containing them MERCK FROSST CANADA INC. (CA) 1984-04-04 EP claimed