SCHEMBL8635823

SCHEMBL8635823

CC(N)C(Cc1ccccc1)C(=O)OCCCOc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.57
PPARG P37231 10/20 0.57
PPARD Q03181 7/20 0.57
SLC2A1 P11166 1/20 0.46
LTA4H P09960 3/20 0.46
TDP1 Q9NUW8 1/20 0.44
NPY5R Q15761 2/20 0.44

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
SCHEMBL8642303 0.78 PPARG (0.52) PPARAPPARGPPARDLTA4HTDP1
SCHEMBL8639357 0.77 LTA4H (0.52) LTA4H
SCHEMBL682000 0.77 PPARA (0.71) PPARAPPARGPPARDSLC2A1LTA4H
SCHEMBL27697822 0.76 ALDH1A1 (0.51) LTA4HTDP1
SCHEMBL5375698 0.75 PPARG (0.66) PPARAPPARGPPARDSLC2A1LTA4H
SCHEMBL5579003 0.73 PPARA (0.77) PPARAPPARGPPARDSLC2A1LTA4H
SCHEMBL5379966 0.73 PPARA (0.77) PPARAPPARGPPARDSLC2A1LTA4H
SCHEMBL5380615 0.73 PPARA (0.82) PPARAPPARGPPARDTDP1
SCHEMBL5383202 0.72 PPARA (1.00) PPARAPPARGPPARD
SCHEMBL5381390 0.72 PPARG (0.77) PPARAPPARGPPARDSLC2A1

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