SCHEMBL9821707

SCHEMBL9821707

CCCc1c(OCCCCCOc2ccc3c(c2CCC)OC(C(=O)OC)CC3)ccc(C(C)=O)c1O

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 12/20 0.79
LTB4R2 Q9NPC1 4/20 0.79
CYSLTR1 Q9Y271 5/20 0.74
CYSLTR2 Q9NS75 4/20 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
SCHEMBL5183040 0.97 LTB4R (0.83) LTB4RLTB4R2CYSLTR1CYSLTR2TBXAS1
SCHEMBL9201186 0.91 LTB4R (0.74) LTB4RLTB4R2CYSLTR1CYSLTR2
SCHEMBL10342918 0.91 LTB4R (0.94) LTB4RLTB4R2CYSLTR1CYSLTR2TBXAS1
SCHEMBL9821823 0.90 LTB4R (0.81) LTB4RLTB4R2CYSLTR1CYSLTR2
SCHEMBL9821851 0.90 LTB4R (0.72) LTB4RLTB4R2CYSLTR1CYSLTR2TBXAS1
SCHEMBL8957196 0.89 LTB4R (0.73) LTB4RLTB4R2CYSLTR1CYSLTR2
SCHEMBL10838006 0.89 LTB4R (0.62) LTB4RLTB4R2CYSLTR1CYSLTR2
SCHEMBL10633788 0.89 LTB4R (0.70) LTB4RLTB4R2CYSLTR1CYSLTR2TBXAS1
SCHEMBL10838232 0.89 LTB4R (0.88) LTB4RLTB4R2CYSLTR1CYSLTR2TBXAS1
SCHEMBL9821667 0.89 LTB4R (0.69) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4565882-A Substituted dihydrobenzopyran-2-carboxylates G. D. SEARLE & CO. (US) 1986-01-21 US claimed
EP-0150447-A2 Substituted dihydrobenzopyran-2-carboxylates G.D. Searle & Co. (US) 1985-08-07 EP claimed
EP-0292977-B1 ALKOXY-SUBSTITUTED DIHYDROBENZOPYRAN-2-CARBOXYLATE DERIVATIVES G.D. Searle & Co. (US) 1991-09-04 EP disclosed
EP-0150447-B1 SUBSTITUTED DIHYDROBENZOPYRAN-2-CARBOXYLATES G.D. Searle & Co. (US) 1990-01-24 EP disclosed
US-4889871-A ANTIINFLAMMATORY AGENTS; SELECTIVE LEUKOTRIENE ANTAGONISTS G. D. SEARLE & CO. (US) 1989-12-26 US disclosed
EP-0292977-A1 Alkoxy-substituted dihydrobenzopyran-2-carboxylate derivatives G.D. Searle & Co. (US) 1988-11-30 EP disclosed
US-4565882-A Substituted dihydrobenzopyran-2-carboxylates G. D. SEARLE & CO. (US) 1986-01-21 US disclosed
EP-0150447-A2 Substituted dihydrobenzopyran-2-carboxylates G.D. Searle & Co. (US) 1985-08-07 EP disclosed