SCHEMBL8773785

SCHEMBL8773785

CCC(CN1CCC(C(=O)O)CC1)Oc1ccc(Cc2ccccc2)s1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.44
SLC18A3 Q16572 1/20 0.44
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.37
S1PR1 P21453 1/20 0.37
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37
S1PR5 Q9H228 1/20 0.36

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
SCHEMBL19535305 0.82 LTA4H (0.60) LTA4HSLC18A3S1PR1S1PR5
SCHEMBL3635096 0.82 LTA4H (0.60) LTA4HSLC18A3S1PR1S1PR5
SCHEMBL8773749 0.74 LTA4H (0.49) LTA4HSLC18A3S1PR1S1PR5
SCHEMBL8637106 0.74 LTA4H (0.44) LTA4HABL1RIN1
SCHEMBL8773765 0.71 LTA4H (0.70) LTA4HNPC1RAB9ASMN1; SMN2S1PR1
SCHEMBL7137486 0.71 LTA4H (0.70) LTA4H
SCHEMBL8675902 0.70 LTA4H (0.45) LTA4HSMN1; SMN2S1PR1
SCHEMBL8773741 0.70 LTA4H (0.52) LTA4HL3MBTL1S1PR1S1PR5
SCHEMBL24433074 0.65 L3MBTL1 (0.51) LTA4HNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL1519223 0.65 MEN1 (0.69) LTA4HL3MBTL1S1PR1ABL1RIN1

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
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