SCHEMBL8639588

SCHEMBL8639588

CCCN1CCCC1Oc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 13/20 0.48
HRH3 Q9Y5N1 3/20 0.45
HRH1 P35367 1/20 0.45
SIGMAR1 Q99720 1/20 0.41

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
Benzene SCHEMBL8637783 1.00 LTA4H (0.48) LTA4HHRH3HRH1SIGMAR1
SCHEMBL8637456 0.96 LTA4H (0.46) LTA4HHRH3HRH1SIGMAR1
SCHEMBL8640990 0.92 LTA4H (0.47) LTA4HHRH3HRH1
SCHEMBL7398930 0.87 HRH3 (0.43) LTA4HHRH3HRH1
Hydrochloric Acid SCHEMBL7397620 0.86 KCNH2 (0.43) LTA4HHRH3HRH1
SCHEMBL8637445 0.85 HRH1 (0.46) LTA4HHRH3HRH1SIGMAR1
SCHEMBL8641764 0.81 HRH3 (0.50) LTA4HHRH3SIGMAR1
SCHEMBL7397637 0.79 HRH3 (0.44) LTA4HHRH3SIGMAR1
SCHEMBL7402234 0.78 HRH3 (0.54) LTA4HHRH3
Hydrochloric Acid SCHEMBL7395371 0.78 HRH3 (0.43) LTA4HHRH3

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
US-5723492-A LTA4 hydrolase inhibitor pharmaceutical compositions and methods of use G.D. SEARLE & CO. (US) 1998-03-03 US disclosed
US-5719306-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed