SCHEMBL9821792

SCHEMBL9821792

CCCc1c(OCCCOc2ccc(C(C)=O)c(OC)c2CCC)ccc2c1OC(CCC(=O)OCC)CC2

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 19/20 0.70
LTB4R2 Q9NPC1 8/20 0.70
CYSLTR2 Q9NS75 1/20 0.50
CYSLTR1 Q9Y271 1/20 0.50

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
SCHEMBL9193241 0.94 LTB4R (0.72) LTB4RLTB4R2CYSLTR2CYSLTR1
SCHEMBL8957249 0.91 LTB4R (0.77) LTB4RLTB4R2
SCHEMBL5694677 0.91 LTB4R (0.76) LTB4RLTB4R2CYSLTR2CYSLTR1
SCHEMBL9821681 0.90 LTB4R (0.69) LTB4RLTB4R2CYSLTR2CYSLTR1
SCHEMBL8957158 0.87 LTB4R (0.85) LTB4RLTB4R2
SCHEMBL9196540 0.85 LTB4R (0.55) LTB4RLTB4R2CYSLTR2CYSLTR1
SCHEMBL8957117 0.85 LTB4R (0.54) LTB4RLTB4R2CYSLTR2CYSLTR1
SCHEMBL10407812 0.85 LTB4R (0.54) LTB4RLTB4R2CYSLTR2CYSLTR1
SCHEMBL8957127 0.84 LTB4R (0.66) LTB4RLTB4R2CYSLTR2CYSLTR1
SCHEMBL8941442 0.84 LTB4R (0.76) LTB4RLTB4R2CYSLTR2CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0292977-B1 ALKOXY-SUBSTITUTED DIHYDROBENZOPYRAN-2-CARBOXYLATE DERIVATIVES G.D. Searle & Co. (US) 1991-09-04 EP claimed
US-4889871-A ANTIINFLAMMATORY AGENTS; SELECTIVE LEUKOTRIENE ANTAGONISTS G. D. SEARLE & CO. (US) 1989-12-26 US claimed
EP-0292977-A1 Alkoxy-substituted dihydrobenzopyran-2-carboxylate derivatives G.D. Searle & Co. (US) 1988-11-30 EP claimed
EP-0292977-B1 ALKOXY-SUBSTITUTED DIHYDROBENZOPYRAN-2-CARBOXYLATE DERIVATIVES G.D. Searle & Co. (US) 1991-09-04 EP disclosed
US-4889871-A ANTIINFLAMMATORY AGENTS; SELECTIVE LEUKOTRIENE ANTAGONISTS G. D. SEARLE & CO. (US) 1989-12-26 US disclosed
EP-0292977-A1 Alkoxy-substituted dihydrobenzopyran-2-carboxylate derivatives G.D. Searle & Co. (US) 1988-11-30 EP disclosed