SCHEMBL8640787

SCHEMBL8640787

CCCN1CCCC(C(N)=O)C1Oc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 15/20 0.48
SPHK1 Q9NYA1 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HRH3 Q9Y5N1 3/20 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
SCHEMBL8641249 0.91 LTA4H (0.47) LTA4HSPHK1NPC1RAB9AHRH3
SCHEMBL8641258 0.84 LTA4H (0.47) LTA4HNPC1RAB9AHRH3
Benzene SCHEMBL8637783 0.78 LTA4H (0.48) LTA4HHRH3
SCHEMBL8639588 0.78 LTA4H (0.48) LTA4HHRH3
SCHEMBL8635992 0.77 LTA4H (0.54) LTA4HNPC1RAB9A
SCHEMBL8637456 0.75 LTA4H (0.46) LTA4HHRH3
SCHEMBL8639531 0.72 LTA4H (0.47) LTA4HNPC1RAB9A
SCHEMBL8640990 0.71 LTA4H (0.47) LTA4HHRH3
SCHEMBL8635920 0.70 LTA4H (0.43) LTA4HHRH3
SCHEMBL8639324 0.70 LTA4H (0.54) LTA4HNPC1RAB9A

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