SCHEMBL8208601

SCHEMBL8208601

N=[C]COc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 14/20 0.55
L3MBTL1 Q9Y468 2/20 0.49
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
CALM1 P0DP23 1/20 0.46
HRH3 Q9Y5N1 1/20 0.44
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43

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
SCHEMBL4404845 0.83 KCNA3 (0.50) LTA4HCYP2C9CYP2C19LMNA
SCHEMBL9450788 0.81 LTA4H (0.55) LTA4HL3MBTL1CYP1A2CYP2D6CYP2C9
SCHEMBL10599543 0.75 LMNA (0.69) LTA4HL3MBTL1CYP1A2CYP2C19LMNA
SCHEMBL8672820 0.75 LTA4H (0.74) LTA4HL3MBTL1CYP1A2CYP2D6CYP2C9
SCHEMBL11856925 0.75 LMNA (0.69) LTA4HL3MBTL1CYP1A2CYP2C19LMNA
SCHEMBL3039068 0.74 LTA4H (0.67) LTA4HL3MBTL1CYP1A2CYP2D6CYP2C9
SCHEMBL2091073 0.74 LTA4H (0.60) LTA4HL3MBTL1CYP1A2CYP2D6CYP2C9
SCHEMBL10062561 0.74 LTA4H (0.63) LTA4HL3MBTL1CYP1A2CYP2D6CYP2C9
SCHEMBL1912758 0.74 LTA4H (0.71) LTA4HL3MBTL1CYP1A2CYP2D6CYP2C9
SCHEMBL29127296 0.74 LTA4H (0.60) LTA4HL3MBTL1CYP1A2CYP2D6CYP2C9

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-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