SCHEMBL9514458

SCHEMBL9514458

CCCCCCCCOc1ccc2c(c1CCC)OC(CCC(=O)O)(CCC(=O)O)CC2=O

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 17/20 0.61
LTB4R2 Q9NPC1 15/20 0.61
CYSLTR2 Q9NS75 3/20 0.41
CYSLTR1 Q9Y271 3/20 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
SCHEMBL9515357 1.00 LTB4R (0.61) LTB4RLTB4R2CYSLTR2CYSLTR1
SCHEMBL9513644 1.00 LTB4R (0.61) LTB4RLTB4R2CYSLTR2CYSLTR1
SCHEMBL9513132 0.90 LTB4R (0.51) LTB4RLTB4R2
SCHEMBL9513714 0.90 LTB4R (0.51) LTB4RLTB4R2
SCHEMBL9515370 0.90 LTB4R (0.51) LTB4RLTB4R2
SCHEMBL9513179 0.90 LTB4R (0.53) LTB4RLTB4R2
SCHEMBL9513346 0.88 LTB4R (0.52) LTB4RLTB4R2CYSLTR2CYSLTR1
SCHEMBL9515334 0.88 LTB4R (0.62) LTB4RLTB4R2
SCHEMBL9514473 0.87 LTB4R (0.51) LTB4RLTB4R2CYSLTR2CYSLTR1
SCHEMBL9514474 0.87 LTB4R (0.51) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0342664-B1 2,2-disubstituted benzopyran leukotriene-D4 antagonists SEARLE & CO (US) 1993-12-15 EP disclosed
US-5093353-A 2,2-di-substituted benzopyran leukotriene-D4 antagonists G. D. SEARLE & CO. (US) 1992-03-03 US disclosed
EP-0342664-A2 2,2-disubstituted benzopyran leukotriene-D4 antagonists G.D. Searle & Co. (US) 1989-11-23 EP disclosed