SCHEMBL9114067

SCHEMBL9114067

COC(=O)/C=C/c1nc(CSCc2cccc(C(=O)OC)c2)ccc1OCCCCCCCCc1ccc(OC)cc1

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 20/20 0.79

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
SCHEMBL9114075 1.00 LTB4R (0.79) LTB4R
SCHEMBL8862110 0.90 LTB4R (0.75) LTB4R
SCHEMBL1893835 0.88 LTB4R (1.00) LTB4R
SCHEMBL1893839 0.88 LTB4R (1.00) LTB4R
SCHEMBL8731919 0.87 LTB4R (1.00) LTB4R
SCHEMBL8073453 0.85 LTB4R (0.87) LTB4R
SCHEMBL8862056 0.84 LTB4R (0.84) LTB4R
SCHEMBL8075661 0.84 LTB4R (0.87) LTB4R
SCHEMBL8862134 0.83 LTB4R (0.84) LTB4R
SCHEMBL8862040 0.82 LTB4R (0.66) LTB4R

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0649408-A4 PROCESS FOR MAKING PHENYLTHIOMETHYLPYRIDINYLALKENOATES. SMITHKLINE BEECHAM CORP (US) 1995-06-21 EP disclosed
EP-0649408-A1 PROCESS FOR MAKING PHENYLTHIOMETHYLPYRIDINYLALKENOATES SMITHKLINE BEECHAM CORPORATION (US) 1995-04-26 EP disclosed
WO-1994000433-A1 PROCESS FOR MAKING PHENYLTHIOMETHYLPYRIDINYLALKENOATES SMITHKLINE BEECHAM CORPORATION (US) 1994-01-06 WO disclosed