SCHEMBL10344384

SCHEMBL10344384

CCCc1c(OCC(=O)OC)ccc2c1OC(C)(CCCCCCO)CC2=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 12/20 0.42
LTB4R2 Q9NPC1 12/20 0.42
PPARG P37231 3/20 0.37
PPARD Q03181 3/20 0.37
PPARA Q07869 3/20 0.37
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
AKT1 P31749 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GAA P10253 1/20 0.32
CASP1 P29466 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL10693383 0.99 LTB4R (0.40) LTB4RLTB4R2PPARGPPARDPPARA
SCHEMBL10689515 0.92 LTB4R (0.41) LTB4RLTB4R2PPARGPPARDPPARA
SCHEMBL10344546 0.92 LTB4R (0.41) LTB4RLTB4R2PPARGPPARDPPARA
SCHEMBL10344328 0.91 LTB4R (0.40) LTB4RLTB4R2PPARGPPARDPPARA
SCHEMBL10344174 0.86 PPARG (0.56) LTB4RLTB4R2PPARGPPARDPPARA
SCHEMBL10344478 0.85 PPARG (0.56) LTB4RLTB4R2PPARGPPARDPPARA
SCHEMBL10735645 0.84 LTB4R (0.41) LTB4RLTB4R2PPARGPPARDPPARA
SCHEMBL10344475 0.84 LTB4R (0.44) LTB4RLTB4R2ALDH1A1AKT1KDM4E
SCHEMBL10738497 0.79 AKT1 (0.36) LTB4RLTB4R2AKT1
SCHEMBL10694129 0.77 LTB4R (0.46) LTB4RLTB4R2ALDH1A1AKT1KDM4E

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