SCHEMBL9114512

SCHEMBL9114512

COC(=O)/C=C/c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCc1ccc(OC)cc1

nearest known ligand 0.85

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 20/20 0.85

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
SCHEMBL9114522 1.00 LTB4R (0.85) LTB4R
SCHEMBL9114192 0.95 LTB4R (0.86) LTB4R
SCHEMBL9114186 0.95 LTB4R (0.86) LTB4R
SCHEMBL7020679 0.92 LTB4R (1.00) LTB4R
SCHEMBL7020686 0.92 LTB4R (1.00) LTB4R
SCHEMBL7021105 0.91 LTB4R (0.84) LTB4R
SCHEMBL7019099 0.87 LTB4R (1.00) LTB4R
SCHEMBL7019094 0.87 LTB4R (1.00) LTB4R
SCHEMBL7022316 0.86 LTB4R (0.98) LTB4R
SCHEMBL7022308 0.86 LTB4R (0.98) 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