SCHEMBL8211657

SCHEMBL8211657

N=C(COc1ccc(Cc2ccccc2)cc1)NCCC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.60
S1PR1 P21453 4/20 0.49
S1PR3 Q99500 2/20 0.49
FAAH O00519 2/20 0.48
ACHE P22303 2/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
CASP3 P42574 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
S1PR5 Q9H228 1/20 0.47
FFAR1 O14842 4/20 0.47
FFAR4 Q5NUL3 1/20 0.47
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL8061292 0.85 LTA4H (0.65) LTA4H
SCHEMBL8046154 0.78 L3MBTL1 (0.49) LTA4HFAAHACHELMNAMAPK1
SCHEMBL5004504 0.77 ALOX15 (0.70) LTA4HLMNAMAPK1CASP3SENP7
SCHEMBL7136224 0.75 LTA4H (1.00) LTA4HS1PR1S1PR3S1PR5FFAR1
SCHEMBL7135460 0.74 LTA4H (1.00) LTA4HS1PR1S1PR3L3MBTL1S1PR5
SCHEMBL8211659 0.73 LTA4H (0.60) LTA4HS1PR1S1PR3S1PR5FFAR1
SCHEMBL9271748 0.73 KMT2A (0.82) FAAHACHELMNAL3MBTL1HPGD
SCHEMBL11528650 0.71 LMNA (0.59) LTA4HLMNAMAPK1CASP3SENP7
SCHEMBL8046227 0.71 WDR5 (0.58) LTA4HLMNAMAPK1CASP3SENP7
SCHEMBL9787068 0.70 LMNA (0.80) LTA4HLMNAMAPK1CASP3SENP7

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-0971909-A1 LTA 4? HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 2000-01-19 EP claimed
WO-1998040370-A1 LTA4 HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 1998-09-17 WO claimed
EP-0971909-A1 LTA 4? HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 2000-01-19 EP disclosed
WO-1998040370-A1 LTA4 HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 1998-09-17 WO disclosed