SCHEMBL9334165

SCHEMBL9334165

COc1ccc(CCCCCCCCOc2ccc(OCc3cc(N)cc(CC(=O)O)c3)nc2C=CCC(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 20/20 0.50

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
SCHEMBL9333868 0.89 LTB4R (0.58) LTB4R
SCHEMBL8862085 0.88 LTB4R (0.55) LTB4R
SCHEMBL9334198 0.82 LTB4R (0.62) LTB4R
SCHEMBL9115552 0.82 LTB4R (0.49) LTB4R
SCHEMBL8862022 0.80 LTB4R (0.55) LTB4R
SCHEMBL8862019 0.80 LTB4R (0.55) LTB4R
SCHEMBL8862088 0.79 LTB4R (0.65) LTB4R
SCHEMBL8862070 0.79 LTB4R (0.65) LTB4R
SCHEMBL7030035 0.78 LTB4R (0.55) LTB4R
SCHEMBL7030031 0.78 LTB4R (0.55) 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-0593464-A1 BENZOIC ACID DERIVATIVES and their use as LTB4 inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1994-04-27 EP disclosed
EP-0593464-A4 BENZOIC ACID DERIVATIVES. SMITHKLINE BEECHAM CORP (US) 1993-02-12 EP disclosed
WO-1991018601-A1 BENZOIC ACID DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 1991-12-12 WO disclosed