SCHEMBL8941316

SCHEMBL8941316

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 7/20 0.52
CYSLTR2 Q9NS75 9/20 0.49
CYSLTR1 Q9Y271 9/20 0.49
LTB4R2 Q9NPC1 1/20 0.49
CYP1A2 P05177 2/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
CYP2C9 P11712 1/20 0.46
NFKB1 P19838 1/20 0.46
PPARG P37231 1/20 0.46
BLM P54132 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL8941349 0.92 LTB4R (0.59) LTB4RCYSLTR2CYSLTR1LTB4R2CYP1A2
SCHEMBL8957156 0.91 CYSLTR2 (0.55) LTB4RCYSLTR2CYSLTR1CYP1A2MAPT
SCHEMBL8941560 0.89 CYSLTR2 (0.51) LTB4RCYSLTR2CYSLTR1LTB4R2CYP1A2
SCHEMBL8941368 0.86 LTB4R (0.66) LTB4RCYSLTR2CYSLTR1LTB4R2CYP1A2
SCHEMBL8957186 0.84 CYSLTR2 (0.65) LTB4RCYSLTR2CYSLTR1CYP1A2MAPT
SCHEMBL8941405 0.84 SCN9A (0.48) LTB4RCYSLTR2CYSLTR1LTB4R2CYP1A2
SCHEMBL8957215 0.81 CYSLTR2 (0.56) LTB4RCYSLTR2CYSLTR1CYP1A2MAPT
SCHEMBL9192377 0.81 CYSLTR2 (0.60) LTB4RCYSLTR2CYSLTR1CYP1A2MAPT
SCHEMBL8941387 0.80 CYSLTR2 (0.59) LTB4RCYSLTR2CYSLTR1LTB4R2CYP1A2
SCHEMBL8957143 0.77 LTB4R (0.55) LTB4RCYSLTR2CYSLTR1LTB4R2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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