SCHEMBL10742007

SCHEMBL10742007

CCCc1c(OCCCCC(=O)OC)ccc(C(C)=O)c1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.72
PPARD Q03181 2/20 0.72
PPARA Q07869 2/20 0.72
CYSLTR2 Q9NS75 15/20 0.67
CYSLTR1 Q9Y271 15/20 0.67
GRM2 Q14416 3/20 0.65
LMNA P02545 2/20 0.61
CYP1A2 P05177 1/20 0.61
MAPT P10636 1/20 0.61
CYP2C9 P11712 1/20 0.61
NFKB1 P19838 1/20 0.61
BLM P54132 1/20 0.61
MEN1 O00255 1/20 0.60
GLA P06280 1/20 0.60
CYP3A4 P08684 1/20 0.60
ALOX5 P09917 1/20 0.60
ALOX15 P16050 1/20 0.60
TSHR P16473 1/20 0.60
PTGS1 P23219 1/20 0.60
PTGS2 P35354 1/20 0.60

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
SCHEMBL10743714 0.99 PPARG (0.71) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL10743000 0.99 PPARG (0.71) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL10685300 0.99 PPARG (0.71) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL10687224 0.92 CYSLTR2 (0.81) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL10690160 0.90 CYSLTR2 (0.82) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL10690867 0.89 CYSLTR2 (0.66) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL10743286 0.88 CYSLTR2 (0.67) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL10739964 0.88 CYSLTR2 (0.67) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL10690172 0.88 CYSLTR2 (0.70) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL9301387 0.88 CYSLTR2 (0.85) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4672066-A TREATMENT OF ALLERGIC CONDITIONS AND CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 1987-06-09 US disclosed
US-4663332-A ANTIALLERGIC AGENTS, CARDIOVASCULAR DISORDERS HOFFMAN-LA ROCHE INC. (US) 1987-05-05 US disclosed
US-4628115-A LEUKOTRIENE ANTAGONISTS HOFFMANN-LA ROCHE INC. (US) 1986-12-09 US disclosed