SCHEMBL8644118

SCHEMBL8644118

CCCC(C)(CC(=O)ON)Oc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 10/20 0.39
ELANE P08246 1/20 0.38
PPARG P37231 5/20 0.38
PPARA Q07869 5/20 0.38
OPRK1 P41145 1/20 0.38
PLA2G10 O15496 1/20 0.37
PLA2G2A P14555 1/20 0.37
LMNA P02545 1/20 0.37
SRD5A2 P31213 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
SCHEMBL8640499 0.85 LTA4H (0.41) LTA4HELANEPPARGPPARAOPRK1
SCHEMBL8641132 0.84 LTA4H (0.42) LTA4H
SCHEMBL11335723 0.80 LTA4H (0.46) LTA4HELANEPPARGPPARAOPRK1
SCHEMBL8907701 0.79 PPARA (0.40) LTA4HPPARGPPARA
SCHEMBL8639361 0.76 OPRK1 (0.39) LTA4HELANEPPARGPPARAOPRK1
SCHEMBL8635978 0.74 LTA4H (0.43) LTA4HELANEPPARGPPARAPLA2G10
SCHEMBL14431994 0.74 S1PR4 (0.43) ELANEPPARGPPARALMNA
SCHEMBL8641992 0.73 S1PR1 (0.36) LTA4HPPARGPPARA
SCHEMBL8644157 0.72 LTA4H (0.39) LTA4HPPARGPPARAPLA2G10PLA2G2A
SCHEMBL11066953 0.72 OPRK1 (0.63) LTA4HELANEPPARGPPARAOPRK1

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
US-5700816-A ANTIARTHRITIC AGENTS G.D. SEARLE & CO. 1997-12-23 US claimed
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