SCHEMBL9545811

SCHEMBL9545811

COc1ccc(CCCCOc2ccc(CCc3ccccc3)nc2C=CC(=O)O)cc1

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 20/20 0.78

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
SCHEMBL9545810 1.00 LTB4R (0.78) LTB4R
SCHEMBL8862092 0.90 LTB4R (0.77) LTB4R
SCHEMBL27371377 0.90 LTB4R (0.72) LTB4R
SCHEMBL8734195 0.90 LTB4R (0.85) LTB4R
SCHEMBL8431784 0.89 LTB4R (0.73) LTB4R
SCHEMBL8757578 0.89 LTB4R (0.75) LTB4R
SCHEMBL8694497 0.89 LTB4R (0.75) LTB4R
SCHEMBL9491384 0.88 LTB4R (0.76) LTB4R
SCHEMBL8430450 0.88 LTB4R (0.74) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993022285-A1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-11-11 WO claimed
WO-1993022285-A1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-11-11 WO disclosed