SCHEMBL9821699

SCHEMBL9821699

CCCc1c(OC/C=C/COc2ccc3c(c2CCC)OC(C)(CCC(=O)OC)CC3=O)ccc(C(C)=O)c1OC

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 10/20 0.42
LTB4R2 Q9NPC1 6/20 0.42
CTSD P07339 3/20 0.40
CYSLTR2 Q9NS75 6/20 0.35
CYSLTR1 Q9Y271 6/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL9821712 1.00 LTB4R (0.42) LTB4RLTB4R2CTSDCYSLTR2CYSLTR1
SCHEMBL9821708 1.00 LTB4R (0.42) LTB4RLTB4R2CTSDCYSLTR2CYSLTR1
SCHEMBL9821820 0.93 LTB4R (0.44) LTB4RLTB4R2CTSDCYSLTR2CYSLTR1
SCHEMBL9821690 0.93 LTB4R (0.44) LTB4RLTB4R2CTSDCYSLTR2CYSLTR1
SCHEMBL9821686 0.93 LTB4R (0.44) LTB4RLTB4R2CTSDCYSLTR2CYSLTR1
SCHEMBL9821665 0.92 LTB4R (0.50) LTB4RLTB4R2CTSDCYSLTR2CYSLTR1
SCHEMBL9821795 0.91 PPARG (0.44) LTB4RLTB4R2CTSDCYSLTR2CYSLTR1
SCHEMBL9821787 0.91 PPARG (0.44) LTB4RLTB4R2CTSDCYSLTR2CYSLTR1
SCHEMBL9821791 0.91 PPARG (0.44) LTB4RLTB4R2CTSDCYSLTR2CYSLTR1
SCHEMBL9821770 0.91 LTB4R (0.42) LTB4RLTB4R2CTSDCYSLTR2CYSLTR1

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-0292977-B1 ALKOXY-SUBSTITUTED DIHYDROBENZOPYRAN-2-CARBOXYLATE DERIVATIVES G.D. Searle & Co. (US) 1991-09-04 EP disclosed
EP-0292977-A1 Alkoxy-substituted dihydrobenzopyran-2-carboxylate derivatives G.D. Searle & Co. (US) 1988-11-30 EP disclosed