SCHEMBL8862085

SCHEMBL8862085

COc1ccc(CCCCCCCCOc2ccc(COc3cc(N)cc(CC(=O)O)c3)nc2C=CCC(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 20/20 0.55

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
SCHEMBL8862088 0.89 LTB4R (0.65) LTB4R
SCHEMBL8862070 0.89 LTB4R (0.65) LTB4R
SCHEMBL9334165 0.88 LTB4R (0.50) LTB4R
SCHEMBL8862093 0.83 LTB4R (0.58) LTB4R
SCHEMBL8699765 0.83 LTB4R (0.61) LTB4R
SCHEMBL8699763 0.83 LTB4R (0.61) LTB4R
SCHEMBL7022636 0.82 LTB4R (0.60) LTB4R
SCHEMBL7022628 0.82 LTB4R (0.60) LTB4R
SCHEMBL9367096 0.81 LTB4R (0.56) LTB4R
SCHEMBL8075686 0.81 LTB4R (0.68) 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
US-5656636-A TREATING PSORIASIS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-12 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-0604529-A1 PYRIDINE COMPOUNDS FOR TREATING LEUKOTRIENE-RELATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1994-07-06 EP disclosed
WO-1993006085-A1 PYRIDINE COMPOUNDS FOR TREATING LEUKOTRIENE-RELATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1993-04-01 WO disclosed