SCHEMBL9821682

SCHEMBL9821682

CCCc1c(OCCCOc2ccc(C(C)=O)c(OC)c2CC2CC2)ccc2c1OC(OC(=O)O)CC2

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 19/20 0.71
LTB4R2 Q9NPC1 8/20 0.71
CYSLTR2 Q9NS75 1/20 0.51
CYSLTR1 Q9Y271 1/20 0.51

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
SCHEMBL9821815 0.93 LTB4R (0.74) LTB4RLTB4R2CYSLTR2CYSLTR1
SCHEMBL9196330 0.91 LTB4R (0.80) LTB4RLTB4R2
SCHEMBL9821669 0.90 LTB4R (0.69) LTB4RLTB4R2CYSLTR2CYSLTR1
SCHEMBL5694802 0.88 LTB4R (0.90) LTB4RLTB4R2
SCHEMBL9821767 0.88 LTB4R (0.67) LTB4RLTB4R2CYSLTR2CYSLTR1
SCHEMBL9821799 0.87 LTB4R (0.74) LTB4RLTB4R2
SCHEMBL11009012 0.87 LTB4R (0.78) LTB4RLTB4R2CYSLTR2CYSLTR1
SCHEMBL9198118 0.86 LTB4R (0.79) LTB4RLTB4R2
SCHEMBL9821884 0.86 LTB4R (0.72) LTB4RLTB4R2
SCHEMBL9198703 0.86 LTB4R (0.77) 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 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