SCHEMBL9154604

SCHEMBL9154604

CCOC(=O)CCc1cccc2c(=O)c3cc(C(=O)OC)c(OCCCC/C=C/c4ccc(OC)cc4)cc3oc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 6/20 0.53
LTB4R2 Q9NPC1 3/20 0.45
DRD3 P35462 1/20 0.45
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
FPR1 P21462 5/20 0.35
MAOA P21397 2/20 0.35
EGFR P00533 1/20 0.35
TSHR P16473 1/20 0.34
NPC1 O15118 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34

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
SCHEMBL9154611 1.00 LTB4R (0.53) LTB4RLTB4R2DRD3KDM4EALDH1A1
SCHEMBL9150347 0.81 LTB4R (0.76) LTB4RLTB4R2DRD3KDM4EALDH1A1
SCHEMBL9150787 0.73 LTB4R (0.72) LTB4RLTB4R2KDM4EALDH1A1GAA
SCHEMBL9218820 0.72 LTB4R (0.65) LTB4RLTB4R2DRD3ALDH1A1GAA
SCHEMBL9427079 0.72 LTB4R (0.65) LTB4RLTB4R2DRD3ALDH1A1GAA
SCHEMBL9445158 0.71 LTB4R (0.58) LTB4RLTB4R2DRD3KDM4EALDH1A1
SCHEMBL9697914 0.71 LTB4R (0.58) LTB4RLTB4R2DRD3ALDH1A1MAPT
SCHEMBL9445156 0.71 LTB4R (0.58) LTB4RLTB4R2DRD3KDM4EALDH1A1
SCHEMBL9697919 0.71 LTB4R (0.58) LTB4RLTB4R2DRD3ALDH1A1MAPT
SCHEMBL9445356 0.70 LTB4R (0.56) LTB4RLTB4R2DRD3ALDH1A1GAA

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