SCHEMBL8644274

SCHEMBL8644274

CCCC(N)(CC(C)(C)O)Oc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.41
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
ELANE P08246 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PPARG P37231 6/20 0.35
PPARA Q07869 5/20 0.35
OPRK1 P41145 1/20 0.34
HRH1 P35367 1/20 0.34
SRD5A2 P31213 1/20 0.33
PLA2G10 O15496 1/20 0.33
PLA2G2A P14555 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL8635978 0.80 LTA4H (0.43) LTA4HS1PR1S1PR3ELANEPPARG
SCHEMBL8644157 0.78 LTA4H (0.39) LTA4HPPARGPPARASRD5A2PLA2G10
SCHEMBL11335723 0.74 LTA4H (0.46) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL18333223 0.73 LTA4H (0.52) LTA4HCYP2D6ELANELMNA
SCHEMBL1452863 0.72 LTA4H (0.39) LTA4HL3MBTL1PPARGPPARA
SCHEMBL8637359 0.71 FKBP1A (0.46) LTA4HCYP2C9HTT
SCHEMBL5280435 0.71 LTA4H (0.36) LTA4HL3MBTL1
SCHEMBL17772105 0.70 PPARG (0.37) LTA4HCYP2D6L3MBTL1PPARGPPARA
SCHEMBL8644118 0.70 LTA4H (0.39) LTA4HELANEPPARGPPARAOPRK1
SCHEMBL4980283 0.70 ELANE (0.39) LTA4HCYP1A2CYP2D6CYP2C19S1PR1

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