SCHEMBL10694063

SCHEMBL10694063

CCCc1c(OCC(=O)OC)ccc2c1OC(CCCCCCI)CC2=O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 11/20 0.42
LTB4R2 Q9NPC1 11/20 0.42
SIRT2 Q8IXJ6 8/20 0.40
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL10696220 0.99 SIRT2 (0.41) LTB4RLTB4R2SIRT2PPARGPPARD
SCHEMBL10694981 0.92 LTB4R (0.42) LTB4RLTB4R2SIRT2PPARGPPARD
SCHEMBL10344474 0.91 SIRT2 (0.41) LTB4RLTB4R2SIRT2PPARGPPARD
SCHEMBL10344115 0.85 PPARG (0.56) LTB4RLTB4R2PPARGPPARDPPARA
SCHEMBL10344377 0.84 PPARG (0.57) LTB4RLTB4R2PPARGPPARDPPARA
SCHEMBL10344393 0.84 LTB4R (0.42) LTB4RLTB4R2SIRT2PPARGPPARD
SCHEMBL10707461 0.83 LTB4R (0.41) LTB4RLTB4R2SIRT2PPARGPPARD
SCHEMBL10689515 0.78 LTB4R (0.41) LTB4RLTB4R2PPARGPPARDPPARA
SCHEMBL10344546 0.78 LTB4R (0.41) LTB4RLTB4R2PPARGPPARDPPARA
SCHEMBL10344328 0.76 LTB4R (0.40) LTB4RLTB4R2PPARGPPARDPPARA

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-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