SCHEMBL9334154

SCHEMBL9334154

COc1ccc(CCCCCCCCOc2ccc(OCc3cccc(NC(N)=O)c3)nc2C=CC(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 20/20 0.62

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
SCHEMBL9334162 0.93 LTB4R (0.62) LTB4R
SCHEMBL9336826 0.92 LTB4R (0.72) LTB4R
SCHEMBL9373822 0.91 LTB4R (0.60) LTB4R
SCHEMBL9334167 0.88 LTB4R (0.66) LTB4R
SCHEMBL9334194 0.88 LTB4R (0.63) LTB4R
SCHEMBL8862046 0.88 LTB4R (0.68) LTB4R
SCHEMBL8732073 0.87 LTB4R (0.74) LTB4R
SCHEMBL9333861 0.87 LTB4R (0.69) LTB4R
Lithium Ion SCHEMBL9336839 0.85 LTB4R (0.61) LTB4R
SCHEMBL9335161 0.84 LTB4R (0.59) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0604529-A1 PYRIDINE COMPOUNDS FOR TREATING LEUKOTRIENE-RELATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1994-07-06 EP disclosed
EP-0593464-A1 BENZOIC ACID DERIVATIVES and their use as LTB4 inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1994-04-27 EP disclosed
WO-1993006085-A1 PYRIDINE COMPOUNDS FOR TREATING LEUKOTRIENE-RELATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1993-04-01 WO 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