SCHEMBL8941560

SCHEMBL8941560

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 11/20 0.51
CYSLTR1 Q9Y271 11/20 0.51
LTB4R Q15722 4/20 0.51
LTB4R2 Q9NPC1 3/20 0.51
CYP1A2 P05177 2/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
CYP2C9 P11712 1/20 0.47
NFKB1 P19838 1/20 0.47
PPARG P37231 1/20 0.47
BLM P54132 1/20 0.47
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL8941387 0.92 CYSLTR2 (0.59) CYSLTR2CYSLTR1LTB4RLTB4R2CYP1A2
SCHEMBL8957215 0.90 CYSLTR2 (0.56) CYSLTR2CYSLTR1LTB4RCYP1A2MAPT
SCHEMBL8941316 0.89 LTB4R (0.52) CYSLTR2CYSLTR1LTB4RLTB4R2CYP1A2
SCHEMBL9195871 0.88 LTB4R (0.49) CYSLTR2CYSLTR1LTB4RLTB4R2CYP1A2
SCHEMBL9192882 0.88 LTB4R (0.50) CYSLTR2CYSLTR1LTB4RLTB4R2MAPT
SCHEMBL9192886 0.88 LTB4R (0.52) CYSLTR2CYSLTR1LTB4RLTB4R2MAPT
SCHEMBL8941565 0.85 LTB4R (0.56) CYSLTR2CYSLTR1LTB4RLTB4R2CYP1A2
SCHEMBL8941405 0.85 SCN9A (0.48) CYSLTR2CYSLTR1LTB4RLTB4R2CYP1A2
SCHEMBL8957166 0.82 CYSLTR2 (0.66) CYSLTR2CYSLTR1LTB4RCYP1A2MAPT
SCHEMBL8957156 0.82 CYSLTR2 (0.55) CYSLTR2CYSLTR1LTB4RCYP1A2MAPT

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 13 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
WO-1995033742-A1 LEUKOTRIENE B4 ANTAGONISTS G.D. SEARLE & CO. (US) 1995-12-14 WO 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