SCHEMBL9821669

SCHEMBL9821669

C=CCc1c(OCCCOc2ccc3c(c2CCC)OC(OC(=O)O)CC3)ccc(C(C)=O)c1OC

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 19/20 0.69
LTB4R2 Q9NPC1 9/20 0.69
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
SCHEMBL9193027 0.93 LTB4R (0.69) LTB4RLTB4R2
SCHEMBL9196286 0.92 LTB4R (0.70) LTB4RLTB4R2
SCHEMBL9821815 0.91 LTB4R (0.74) LTB4RLTB4R2CYSLTR2CYSLTR1
SCHEMBL9821682 0.90 LTB4R (0.71) LTB4RLTB4R2CYSLTR2CYSLTR1
SCHEMBL9194416 0.90 LTB4R (0.55) LTB4RLTB4R2
SCHEMBL9821725 0.89 LTB4R (0.87) LTB4RLTB4R2CYSLTR2CYSLTR1
SCHEMBL9821767 0.87 LTB4R (0.67) LTB4RLTB4R2CYSLTR2CYSLTR1
SCHEMBL9198930 0.86 LTB4R (0.75) LTB4RLTB4R2CYSLTR2CYSLTR1
SCHEMBL9821799 0.86 LTB4R (0.74) LTB4RLTB4R2
SCHEMBL11009012 0.86 LTB4R (0.78) 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 1 patent. 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