SCHEMBL8773765

SCHEMBL8773765

CC(CN1CCC(C(=O)O)CC1)Oc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 10/20 0.70
S1PR5 Q9H228 3/20 0.50
S1PR1 P21453 2/20 0.50
SIGMAR1 Q99720 2/20 0.49
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL3635096 0.87 LTA4H (0.60) LTA4HS1PR5S1PR1
SCHEMBL19535305 0.87 LTA4H (0.60) LTA4HS1PR5S1PR1
SCHEMBL8773751 0.84 LTA4H (0.68) LTA4HSIGMAR1
SCHEMBL7140105 0.82 LTA4H (0.97) LTA4HSIGMAR1RAB9ASMN1; SMN2
SCHEMBL7139511 0.82 LTA4H (0.97) LTA4HSIGMAR1RAB9ASMN1; SMN2
SCHEMBL8773749 0.78 LTA4H (0.49) LTA4HS1PR5S1PR1
SCHEMBL8639100 0.78 LTA4H (0.54) LTA4HS1PR5S1PR1NPC1RAB9A
SCHEMBL1002589 0.78 LTA4H (1.00) LTA4H
SCHEMBL7404320 0.76 DRD4 (0.64) LTA4HSIGMAR1
SCHEMBL8773741 0.74 LTA4H (0.52) LTA4HS1PR5S1PR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804427-A1 LTA4 HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 1997-11-05 EP claimed
WO-1996011192-A1 LTA4 HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 1996-04-18 WO claimed
EP-0804427-A1 LTA4 HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 1997-11-05 EP disclosed
WO-1996011192-A1 LTA4 HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 1996-04-18 WO disclosed