SCHEMBL28663294

SCHEMBL28663294

CCC(Cc1ccc(C(=O)NCc2ccccc2C)cc1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 1.00
EPHX2 P34913 11/20 0.79
PPARA Q07869 5/20 0.66
ALDH1A1 P00352 1/20 0.64
HPGD P15428 1/20 0.64
KDM4E B2RXH2 1/20 0.62
LMNA P02545 1/20 0.62
MAPT P10636 1/20 0.62
PPARD Q03181 3/20 0.62

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
SCHEMBL28656782 0.87 EPHX2 (0.78) PPARGEPHX2PPARAPPARD
SCHEMBL23015873 0.84 PPARG (1.00) PPARGEPHX2PPARA
SCHEMBL28647893 0.81 PPARG (1.00) PPARGEPHX2PPARAPPARD
SCHEMBL4521046 0.80 ALDH1A1 (1.00) PPARGEPHX2ALDH1A1HPGDKDM4E
SCHEMBL9419792 0.80 PPARG (0.64) PPARGEPHX2PPARAALDH1A1HPGD
SCHEMBL28658560 0.80 PPARG (1.00) PPARGEPHX2PPARAHPGDPPARD
SCHEMBL28662967 0.79 PPARG (0.81) PPARGEPHX2PPARALMNAPPARD
SCHEMBL28643598 0.78 ALDH1A1 (0.72) PPARGEPHX2ALDH1A1HPGDKDM4E
SCHEMBL4503669 0.76 HPGD (0.79) PPARGEPHX2ALDH1A1HPGDKDM4E
SCHEMBL7384644 0.75 PPARG (0.57) PPARGEPHX2PPARAALDH1A1HPGD

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