SCHEMBL8699765

SCHEMBL8699765

COc1ccc(CCCCCCCCOc2ccc(CO)nc2C=CCC(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 20/20 0.61

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
SCHEMBL8699763 1.00 LTB4R (0.61) LTB4R
SCHEMBL7022636 0.99 LTB4R (0.60) LTB4R
SCHEMBL7022628 0.99 LTB4R (0.60) LTB4R
SCHEMBL7023827 0.90 LTB4R (0.59) LTB4R
SCHEMBL7023822 0.90 LTB4R (0.59) LTB4R
Hydrochloric Acid SCHEMBL7023840 0.89 LTB4R (0.58) LTB4R
Hydrochloric Acid SCHEMBL7023839 0.89 LTB4R (0.58) LTB4R
SCHEMBL8694497 0.89 LTB4R (0.75) LTB4R
SCHEMBL8757578 0.89 LTB4R (0.75) LTB4R
Hydrochloric Acid SCHEMBL8698525 0.88 LTB4R (0.74) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5726315-A Certain 3-hydroxy-6-hydroxymethyl-pyridine intermediates SMITHKLINE BEECHAM PLC (GB) 1998-03-10 US disclosed
US-5656636-A TREATING PSORIASIS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-12 US disclosed
US-5646286-A Palladium catalyzed vinylic substitution reactions with 2-substituted-pyridines SMITHKLINE BEECHAM PLC (GB) 1997-07-08 US disclosed
US-5633258-A Pyridine compounds for treating leukotriene-related diseases SMITHKLINE BEECHAM CORPORATION (US) 1997-05-27 US disclosed
US-5631262-A Pyridine compounds for treating leukotriene-related diseases SMITHKLINE BEECHAM CORPORATION (US) 1997-05-20 US disclosed
EP-0705249-B1 PALLADIUM CATALYZED VINYLIC SUBSTITUTION REACTIONS WITH 2-SUBSTITUTED-PYRIDINES SMITHKLINE BEECHAM PLC (GB) 1997-05-14 EP disclosed
EP-0705249-A1 PALLADIUM CATALYZED VINYLIC SUBSTITUTION REACTIONS WITH 2-SUBSTITUTED-PYRIDINES SMITHKLINE BEECHAM PLC (GB) 1996-04-10 EP disclosed
EP-0675718-A1 SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-11 EP disclosed
EP-0675718-A4 SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS LEUKOTRIENE ANTAGONISTS. SMITHKLINE BEECHAM CORP (US) 1995-08-22 EP disclosed
WO-1995000487-A1 PALLADIUM CATALYZED VINYLIC SUBSTITUTION REACTIONS WITH 2-SUBSTITUTED-PYRIDINES SMITHKLINE BEECHAM PLC (GB) 1995-01-05 WO disclosed
WO-1994014442-A1 SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO disclosed
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-1993011768-A1 PYRIDYL COMPOUNDS FOR PSORIASIS TREATMENT SMITHKLINE BEECHAM CORPORATION (US) 1993-06-24 WO 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