SCHEMBL10344392

SCHEMBL10344392

CCCc1c(OCCCC[C@@]2(C)CC(=O)c3ccc(OCC(=O)OC)cc3O2)ccc(C(C)=O)c1O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.60
PPARD Q03181 3/20 0.60
PPARA Q07869 3/20 0.60
CYSLTR1 Q9Y271 11/20 0.53
CYSLTR2 Q9NS75 10/20 0.53
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
NFKB1 P19838 1/20 0.49
BLM P54132 1/20 0.49
GRM2 Q14416 2/20 0.47
TBXAS1 P24557 1/20 0.46
LTB4R Q15722 1/20 0.46
LTB4R2 Q9NPC1 1/20 0.46

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
SCHEMBL10344547 1.00 PPARG (0.60) PPARGPPARDPPARACYSLTR1CYSLTR2
SCHEMBL10344382 1.00 PPARG (0.60) PPARGPPARDPPARACYSLTR1CYSLTR2
SCHEMBL10344173 0.92 CYSLTR1 (0.63) PPARGPPARDPPARACYSLTR1CYSLTR2
SCHEMBL10732480 0.89 CYSLTR2 (0.60) PPARGPPARDPPARACYSLTR1CYSLTR2
SCHEMBL10689874 0.88 CYSLTR1 (0.49) PPARGPPARDPPARACYSLTR1CYSLTR2
SCHEMBL10344478 0.88 PPARG (0.56) PPARGPPARDPPARACYSLTR1CYSLTR2
SCHEMBL10344174 0.87 PPARG (0.56) PPARGPPARDPPARACYSLTR1CYSLTR2
SCHEMBL10344476 0.82 PPARG (0.52) PPARGPPARDPPARACYSLTR1CYSLTR2
SCHEMBL10407624 0.81 PPARG (0.53) PPARGPPARDPPARACYSLTR1CYSLTR2
SCHEMBL10344376 0.80 CYSLTR2 (0.58) 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 3 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
EP-0261254-A1 3,4-Dihydro-4-oxo-2H-1-benzopyranyloxy alkanoic acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1988-03-30 EP disclosed
US-4650812-A ANTIALLERGY HOFFMANN-LA ROCHE INC. (US) 1987-03-17 US disclosed