SCHEMBL10344115

SCHEMBL10344115

CCCc1c(OCCCCCCC2CC(=O)c3ccc(OCC(=O)OC)c(CCC)c3O2)ccc(C(C)=O)c1O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.56
PPARD Q03181 2/20 0.56
PPARA Q07869 2/20 0.56
CYSLTR1 Q9Y271 11/20 0.50
CYSLTR2 Q9NS75 10/20 0.50
LTB4R Q15722 2/20 0.49
LTB4R2 Q9NPC1 2/20 0.49
TBXAS1 P24557 1/20 0.46
GRM2 Q14416 2/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
NFKB1 P19838 1/20 0.45
BLM P54132 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
SCHEMBL10344377 0.99 PPARG (0.57) PPARGPPARDPPARACYSLTR1CYSLTR2
SCHEMBL10344388 0.92 CYSLTR1 (0.61) PPARGPPARDPPARACYSLTR1CYSLTR2
SCHEMBL10731283 0.91 CYSLTR2 (0.59) PPARGPPARDPPARACYSLTR1CYSLTR2
SCHEMBL10407657 0.90 PPARG (0.54) PPARGPPARDPPARACYSLTR1CYSLTR2
SCHEMBL10737074 0.89 CYSLTR1 (0.60) CYSLTR1CYSLTR2LTB4RLTB4R2TBXAS1
SCHEMBL10694981 0.86 LTB4R (0.42) PPARGPPARDPPARALTB4RLTB4R2
SCHEMBL10694063 0.85 LTB4R (0.42) PPARGPPARDPPARALTB4RLTB4R2
SCHEMBL10344474 0.85 SIRT2 (0.41) PPARGPPARDPPARALTB4RLTB4R2
SCHEMBL10407893 0.84 CYSLTR2 (0.59) PPARGPPARDPPARACYSLTR1CYSLTR2
SCHEMBL10696220 0.84 SIRT2 (0.41) PPARGPPARDPPARALTB4RLTB4R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0261254-B1 3,4-DIHYDRO-4-OXO-2H-1-BENZOPYRANYLOXY ALKANOIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1990-02-07 EP disclosed
US-4650812-A ANTIALLERGY HOFFMANN-LA ROCHE INC. (US) 1987-03-17 US disclosed