SCHEMBL8773741

SCHEMBL8773741

CCC(CN1CCCC(C(=O)O)C1)Oc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.52
S1PR5 Q9H228 4/20 0.50
S1PR1 P21453 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL7138408 0.82 LTA4H (0.71) LTA4H
SCHEMBL8773749 0.79 LTA4H (0.49) LTA4HS1PR5S1PR1
SCHEMBL8773765 0.74 LTA4H (0.70) LTA4HS1PR5S1PR1
SCHEMBL8104319 0.74 KMT2A (0.62)
SCHEMBL8095548 0.74 KMT2A (0.62)
SCHEMBL8641251 0.72 DRD3 (0.52) LTA4HS1PR5L3MBTL1
SCHEMBL8644136 0.72 LTA4H (0.48) LTA4HL3MBTL1
SCHEMBL8639100 0.72 LTA4H (0.54) LTA4HS1PR5S1PR1L3MBTL1

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