SCHEMBL28709758

SCHEMBL28709758

CC(C)(C)OC(=O)N1CC[C@H](C(Cc2cccc(Br)c2)C(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.42
GPR119 Q8TDV5 3/20 0.41
USP30 Q70CQ3 2/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 2/20 0.37
MMP9 P14780 1/20 0.37
OPRD1 P41143 1/20 0.36
DPP4 P27487 1/20 0.36
STS P08842 1/20 0.36
KLK7 P49862 1/20 0.36
KLK5 Q9Y337 1/20 0.36
YAP1 P46937 1/20 0.35
CETP P11597 1/20 0.35
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL31291041 1.00 PPARA (0.42) PPARAGPR119USP30JAK2JAK1
SCHEMBL23761169 1.00 PPARA (0.42) PPARAGPR119USP30JAK2JAK1
SCHEMBL28700147 1.00 PPARA (0.42) PPARAGPR119USP30JAK2JAK1
SCHEMBL23761168 1.00 PPARA (0.42) PPARAGPR119USP30JAK2JAK1
SCHEMBL29257778 0.95 PPARA (0.43) PPARAGPR119NR1H2NR1H3MMP9
SCHEMBL29257781 0.95 PPARA (0.43) PPARAGPR119NR1H2NR1H3MMP9
SCHEMBL31588553 0.93 GPR119 (0.40) PPARAGPR119USP30JAK2JAK1
SCHEMBL25957354 0.92 GPR119 (0.42) PPARAGPR119JAK2JAK1STS
SCHEMBL22764724 0.92 GPR119 (0.46) PPARAGPR119USP30JAK2JAK1
SCHEMBL28709765 0.92 GPR119 (0.46) PPARAGPR119USP30JAK2JAK1

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-114008021-A Pyrrolidine compounds 伊莱利利公司 2022-02-01 CN disclosed