SCHEMBL10692495

SCHEMBL10692495

CCCc1c(OCCCC(=O)OCC)ccc2c1OC(C)(CCCCI)CC2=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 15/20 0.44
LTB4R2 Q9NPC1 15/20 0.44
BRD4 O60885 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
AKT1 P31749 2/20 0.33

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
SCHEMBL10694129 0.93 LTB4R (0.46) LTB4RLTB4R2BRD4KDM4EALDH1A1
SCHEMBL10344475 0.92 LTB4R (0.44) LTB4RLTB4R2BRD4KDM4EALDH1A1
SCHEMBL10344389 0.87 CYSLTR2 (0.47) LTB4RLTB4R2
SCHEMBL10344328 0.85 LTB4R (0.40) LTB4RLTB4R2KDM4EALDH1A1GAA
SCHEMBL10689515 0.84 LTB4R (0.41) LTB4RLTB4R2KDM4EALDH1A1GAA
SCHEMBL10344546 0.84 LTB4R (0.41) LTB4RLTB4R2KDM4EALDH1A1GAA
SCHEMBL10344387 0.79 BRD4 (0.49) BRD4KDM4EALDH1A1GAAHPGD
SCHEMBL9513132 0.79 LTB4R (0.51) LTB4RLTB4R2KDM4EALDH1A1HPGD
SCHEMBL9515370 0.79 LTB4R (0.51) LTB4RLTB4R2KDM4EALDH1A1HPGD
SCHEMBL9513714 0.79 LTB4R (0.51) LTB4RLTB4R2KDM4EALDH1A1HPGD

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