SCHEMBL8639404

SCHEMBL8639404

CCC1CCCCCN1Oc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 10/20 0.46
HRH3 Q9Y5N1 2/20 0.45
HTT P42858 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 1/20 0.41
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL8637065 0.90 LTA4H (0.44) LTA4HHRH3
SCHEMBL8188491 0.87 NPC1 (0.50) HTTNPC1RAB9AMEN1KMT2A
SCHEMBL7246915 0.83 NPC1 (0.45) NPC1RAB9AHPGD
SCHEMBL1802067 0.74 LTA4H (0.58) LTA4HHRH3
SCHEMBL503024 0.73 NPC1 (0.39) NPC1RAB9AHPGD
SCHEMBL3124205 0.71 ALDH1A1 (0.40) HTTNPC1RAB9AMEN1KMT2A
SCHEMBL7322832 0.70 SLC2A1 (0.59) LTA4HHRH3
SCHEMBL7142157 0.70 CHRNB2 (0.38) NPC1RAB9AHPGD
SCHEMBL8637445 0.69 HRH1 (0.46) LTA4HHRH3
Hydrochloric Acid SCHEMBL7321449 0.69 SLC2A1 (0.58) 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