SCHEMBL9526565

SCHEMBL9526565

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

nearest known ligand 0.88

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 15/20 0.88
LTB4R2 Q9NPC1 7/20 0.88
CYSLTR1 Q9Y271 3/20 0.74
CYSLTR2 Q9NS75 2/20 0.74
TBXAS1 P24557 1/20 0.64

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
SCHEMBL9372183 0.94 LTB4R (1.00) LTB4RLTB4R2CYSLTR1CYSLTR2TBXAS1
SCHEMBL9201186 0.92 LTB4R (0.74) LTB4RLTB4R2CYSLTR1CYSLTR2
SCHEMBL10342918 0.91 LTB4R (0.94) LTB4RLTB4R2CYSLTR1CYSLTR2TBXAS1
SCHEMBL5694802 0.91 LTB4R (0.90) LTB4RLTB4R2
SCHEMBL10632710 0.88 CYSLTR1 (0.95) LTB4RLTB4R2CYSLTR1CYSLTR2TBXAS1
SCHEMBL10638812 0.88 LTB4R (0.88) LTB4RLTB4R2CYSLTR1CYSLTR2TBXAS1
SCHEMBL10838232 0.87 LTB4R (0.88) LTB4RLTB4R2CYSLTR1CYSLTR2TBXAS1
SCHEMBL5183040 0.85 LTB4R (0.83) LTB4RLTB4R2CYSLTR1CYSLTR2TBXAS1
SCHEMBL9821676 0.85 LTB4R (0.86) LTB4RLTB4R2CYSLTR1CYSLTR2
Sc-41390 SCHEMBL29403478 0.85 LTB4R (1.00) LTB4RLTB4R2CYSLTR1CYSLTR2

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-0527922-A1 ALKOXY-SUBSTITUTED DIHYDROBENZOPYRAN-2-CARBOXYLIC ACIDS AND DERIVATIVES THEREOF. SEARLE & CO (US) 1993-02-24 EP disclosed
WO-1991017160-A1 ALKOXY-SUBSTITUTED DIHYDROBENZOPYRAN-2-CARBOXYLIC ACIDS AND DERIVATIVES THEREOF G.D. SEARLE & CO. (US) 1991-11-14 WO disclosed