SCHEMBL7550752

SCHEMBL7550752

CCC(=O)ON(C)CCCCOc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 15/20 0.64
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTT P42858 1/20 0.52
BCHE P06276 2/20 0.50
ACHE P22303 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL7141067 0.80 LTA4H (0.67) LTA4HMEN1KMT2ACYP1A2CYP2D6
SCHEMBL7141071 0.77 LTA4H (0.92) LTA4H
SCHEMBL7552353 0.75 LTA4H (0.64) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL13588339 0.75 LTA4H (1.00) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10829172 0.74 LTA4H (0.69) LTA4HMEN1KMT2ACYP1A2CYP2D6
SCHEMBL7139497 0.74 LTA4H (1.00) LTA4H
SCHEMBL570564 0.73 L3MBTL1 (0.70) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4531624 0.73 LTA4H (1.00) LTA4H
SCHEMBL7440978 0.73 L3MBTL1 (0.69) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7132938 0.72 LTA4H (0.84) LTA4HACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1221441-A2 LTA4 Hydrolase inhibitors G.D. SEARLE & CO. (US) 2002-07-10 EP disclosed
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