SCHEMBL9150895

SCHEMBL9150895

CCCCCCCCCCOc1ccc2c(=O)c3cc(C(=O)OCC)ccc3oc2c1CCC(=O)OCC

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 11/20 0.73
LTB4R2 Q9NPC1 5/20 0.54
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 6/20 0.46
HPGD P15428 5/20 0.46
HSD17B10 Q99714 5/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 1/20 0.39

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
SCHEMBL9149226 0.85 LTB4R (0.58) LTB4RLTB4R2KDM4EALDH1A1HPGD
SCHEMBL7972701 0.84 LTB4R (1.00) LTB4RLTB4R2ALDH1A1HPGD
SCHEMBL9147969 0.84 LTB4R (0.72) LTB4RLTB4R2KDM4EALDH1A1HPGD
SCHEMBL7449678 0.83 LTB4R (0.48) LTB4RLTB4R2KDM4EALDH1A1HPGD
SCHEMBL9150020 0.82 LTB4R (0.71) LTB4RLTB4R2KDM4EALDH1A1HPGD
SCHEMBL9150347 0.81 LTB4R (0.76) LTB4RLTB4R2KDM4EALDH1A1HPGD
SCHEMBL9150788 0.78 LTB4R (0.47) LTB4RLTB4R2KDM4EALDH1A1HPGD
SCHEMBL11768877 0.78 LTB4R (0.51) LTB4RLTB4R2
SCHEMBL11771151 0.78 LTB4R (0.51) LTB4RLTB4R2
SCHEMBL11769105 0.78 LTB4R (0.51) LTB4RLTB4R2

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-0442748-B1 Improvements in and relating to leukotriene antagonists LILLY CO ELI (US) 1995-01-11 EP disclosed
EP-0442748-A1 Improvements in and relating to leukotriene antagonists ELI LILLY AND COMPANY (US) 1991-08-21 EP disclosed
US-4996230-A Antiallergens, antiinflammatory agent ELI LILLY AND COMPANY (US) 1991-02-26 US disclosed