SCHEMBL8639571

SCHEMBL8639571

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 19/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL8641926 0.92 LTA4H (0.44) LTA4H
SCHEMBL8641994 0.77 FFAR1 (0.40) LTA4HLMNAL3MBTL1
SCHEMBL122993 0.75 LTA4H (0.53) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL14478223 0.75 ARG1 (0.60) CYP1A2MAPK1
SCHEMBL27469449 0.75 ARG1 (0.60) CYP1A2MAPK1
SCHEMBL8644119 0.74 PPARG (0.47) LTA4HLMNAL3MBTL1
Bromide SCHEMBL6049805 0.72 LTA4H (0.53) LTA4HL3MBTL1
SCHEMBL8635978 0.72 LTA4H (0.43) LTA4HLMNA
Bromide SCHEMBL6049807 0.72 LTA4H (0.53) LTA4HL3MBTL1
SCHEMBL8639342 0.72 ELANE (0.43) LTA4HLMNA

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
US-5723492-A LTA4 hydrolase inhibitor pharmaceutical compositions and methods of use G.D. SEARLE & CO. (US) 1998-03-03 US disclosed
US-5719306-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed