SCHEMBL8941405

SCHEMBL8941405

C=CCc1c(OCCCOc2cccc(OCC(=O)O)c2CCC)ccc(C(=O)N2CCCC2)c1OC

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.48
LTB4R Q15722 5/20 0.47
CYSLTR2 Q9NS75 7/20 0.46
CYSLTR1 Q9Y271 7/20 0.46
CYP1A2 P05177 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
CYP2C9 P11712 1/20 0.43
NFKB1 P19838 1/20 0.43
PPARG P37231 1/20 0.43
BLM P54132 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
LTB4R2 Q9NPC1 3/20 0.40
HPGD P15428 2/20 0.40

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
SCHEMBL8941305 0.93 CYSLTR2 (0.53) SCN9ALTB4RCYSLTR2CYSLTR1CYP1A2
SCHEMBL8957035 0.91 CYSLTR2 (0.51) LTB4RCYSLTR2CYSLTR1CYP1A2MAPT
SCHEMBL9199172 0.87 SCN9A (0.49) SCN9ALTB4RCYSLTR2CYSLTR1CYP1A2
SCHEMBL9199187 0.87 SCN9A (0.49) SCN9ALTB4RCYSLTR2CYSLTR1CYP1A2
SCHEMBL8941560 0.85 CYSLTR2 (0.51) LTB4RCYSLTR2CYSLTR1CYP1A2MAPT
SCHEMBL8957222 0.84 CYSLTR2 (0.59) LTB4RCYSLTR2CYSLTR1CYP1A2MAPT
SCHEMBL8941316 0.84 LTB4R (0.52) LTB4RCYSLTR2CYSLTR1CYP1A2MAPT
SCHEMBL9694165 0.81 LTB4R (0.46) SCN9ALTB4RLTB4R2
SCHEMBL8941740 0.79 LTB4R (0.69) LTB4RLTB4R2
SCHEMBL9199183 0.78 CYSLTR2 (0.47) SCN9ALTB4RCYSLTR2CYSLTR1CYP1A2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0593478-B1 LEUKOTRIENE B 4 ANTAGONISTS SEARLE & CO (US) 1995-12-06 EP claimed
US-5439937-A Leukotriene B4 antagonists G. D. SEARLE & CO. (US) 1995-08-08 US claimed
EP-0593478-A1 LEUKOTRIENE B 4? ANTAGONISTS. SEARLE & CO (US) 1994-04-27 EP claimed
WO-1992000011-A2 LEUKOTRIENE B4 ANTAGONISTS G.D. SEARLE & CO. (US) 1992-01-09 WO claimed
US-5532383-A Leukotriene B4 antagonists G. D. SEARLE & CO. (US) 1996-07-02 US disclosed
US-5516917-A ANTIINFLAMMATORY AGENTS G. D. SEARLE & CO. (US) 1996-05-14 US disclosed
EP-0593478-B1 LEUKOTRIENE B 4 ANTAGONISTS SEARLE & CO (US) 1995-12-06 EP disclosed
US-5439937-A Leukotriene B4 antagonists G. D. SEARLE & CO. (US) 1995-08-08 US disclosed
US-5310951-A Benzopyran-2-propanoic acid derivatives; antiinflammatory agents G.D. SEARLE & CO. (US) 1994-05-10 US disclosed
EP-0593478-A1 LEUKOTRIENE B 4? ANTAGONISTS. SEARLE & CO (US) 1994-04-27 EP disclosed
US-5124350-A Antiinflammatory agent G. D. SEARLE & CO. (US) 1992-06-23 US disclosed
WO-1992000011-A2 LEUKOTRIENE B4 ANTAGONISTS G.D. SEARLE & CO. (US) 1992-01-09 WO disclosed