SCHEMBL28656782

SCHEMBL28656782

CCC(Cc1ccc(C(=O)NCc2ccccc2Br)cc1)C(=O)O

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.78
PPARG P37231 16/20 0.77
PPARA Q07869 8/20 0.65
PPARD Q03181 5/20 0.61

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
SCHEMBL28663294 0.87 PPARG (1.00) EPHX2PPARGPPARAPPARD
SCHEMBL23015873 0.83 PPARG (1.00) EPHX2PPARGPPARA
SCHEMBL1511311 0.80 PPARG (0.49) EPHX2PPARGPPARAPPARD
SCHEMBL28647893 0.80 PPARG (1.00) EPHX2PPARGPPARAPPARD
SCHEMBL2905172 0.79 KMT2A (0.77) EPHX2
SCHEMBL22987232 0.79 EPHX2 (0.67) EPHX2PPARGPPARAPPARD
SCHEMBL28658560 0.79 PPARG (1.00) EPHX2PPARGPPARAPPARD
SCHEMBL28662967 0.78 PPARG (0.81) EPHX2PPARGPPARAPPARD
SCHEMBL28665658 0.77 KMT2A (0.65) EPHX2
SCHEMBL7386121 0.74 CYP1A2 (0.55) EPHX2PPARGPPARA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108026028-B Treatment of diabetes and metabolic syndrome with novel dual modulators of soluble epoxide hydrolase and peroxisome proliferator-activated receptors 威斯康星州医药大学股份有限公司 2021-11-09 CN disclosed