SCHEMBL9821667

SCHEMBL9821667

CCCc1c(OCCCOc2ccc3c(c2CCC)OC(C(=O)OC)CC3)ccc(C(=O)C(C)C)c1O

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 18/20 0.69
LTB4R2 Q9NPC1 9/20 0.69
CYSLTR2 Q9NS75 1/20 0.58
CYSLTR1 Q9Y271 1/20 0.58

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
SCHEMBL9821750 0.91 LTB4R (0.72) LTB4RLTB4R2
SCHEMBL5183040 0.91 LTB4R (0.83) LTB4RLTB4R2CYSLTR2CYSLTR1
SCHEMBL8957196 0.90 LTB4R (0.73) LTB4RLTB4R2CYSLTR2CYSLTR1
SCHEMBL9821707 0.89 LTB4R (0.79) LTB4RLTB4R2CYSLTR2CYSLTR1
SCHEMBL10838006 0.86 LTB4R (0.62) LTB4RLTB4R2CYSLTR2CYSLTR1
SCHEMBL10633788 0.86 LTB4R (0.70) LTB4RLTB4R2CYSLTR2CYSLTR1
SCHEMBL9201186 0.85 LTB4R (0.74) LTB4RLTB4R2CYSLTR2CYSLTR1
SCHEMBL8957078 0.85 LTB4R (0.76) LTB4RLTB4R2CYSLTR2CYSLTR1
SCHEMBL9821777 0.84 LTB4R (0.62) LTB4RLTB4R2
SCHEMBL8957123 0.84 LTB4R (0.61) LTB4RLTB4R2

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 2 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 disclosed
US-4889871-A ANTIINFLAMMATORY AGENTS; SELECTIVE LEUKOTRIENE ANTAGONISTS G. D. SEARLE & CO. (US) 1989-12-26 US disclosed