SCHEMBL8635978

SCHEMBL8635978

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.43
PLA2G10 O15496 1/20 0.42
PLA2G2A P14555 1/20 0.42
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
LMNA P02545 1/20 0.39
SRD5A2 P31213 1/20 0.38
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
ELANE P08246 1/20 0.37

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
SCHEMBL8644157 0.87 LTA4H (0.39) LTA4HPLA2G10PLA2G2APPARGPPARA
SCHEMBL8644274 0.80 LTA4H (0.41) LTA4HPLA2G10PLA2G2APPARGPPARA
SCHEMBL8637359 0.80 FKBP1A (0.46) LTA4H
SCHEMBL8644118 0.74 LTA4H (0.39) LTA4HPLA2G10PLA2G2APPARGPPARA
SCHEMBL11459021 0.72 OPRK1 (0.54) LTA4HPLA2G10PLA2G2APPARGPPARA
SCHEMBL8639571 0.72 LTA4H (0.44) LTA4HLMNA
SCHEMBL8639342 0.71 ELANE (0.43) LTA4HPLA2G10PLA2G2APPARGPPARA
SCHEMBL11066953 0.71 OPRK1 (0.63) LTA4HPPARGPPARALMNAELANE
SCHEMBL11335723 0.71 LTA4H (0.46) LTA4HPPARGPPARALMNASRD5A2
SCHEMBL8644119 0.70 PPARG (0.47) LTA4HPLA2G10PLA2G2APPARGPPARA

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