SCHEMBL28809490

SCHEMBL28809490

CCC(C)(C)C(=O)Oc1cccc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 5/20 0.43
LPL P06858 4/20 0.43
DGAT1 O75907 1/20 0.41
HIF1A Q16665 3/20 0.39
AAK1 Q2M2I8 2/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
ROCK1 Q13464 1/20 0.35
ELANE P08246 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
P4HB P07237 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL25427311 0.89 DGAT1 (0.41) LIPGLPLDGAT1HIF1AAAK1
SCHEMBL4045906 0.87 ELANE (0.41) LIPGLPLDGAT1HIF1AELANE
SCHEMBL29913985 0.82 ACHE (0.50) LIPGLPLHIF1AROCK1ELANE
SCHEMBL3451076 0.80 CYP3A4 (0.50) LIPGLPLHIF1AROCK1CA1
SCHEMBL28516345 0.80 LIPG (0.41) LIPGLPLDGAT1HIF1AAAK1
SCHEMBL1318656 0.80 ELANE (0.42) LIPGLPLDGAT1HIF1AAAK1
SCHEMBL5761327 0.79 MEN1 (0.54) LIPGLPLHIF1AROCK1CA1
SCHEMBL28469721 0.79 AAK1 (0.40) LIPGLPLDGAT1HIF1AAAK1
SCHEMBL28521280 0.79 ACHE (0.44) LIPGLPLHIF1A
SCHEMBL23582562 0.78 PPARA (0.52) LIPGLPLDGAT1HIF1ACYP3A4

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-114846013-A Novel aminoaryl derivatives useful as diacylglycerol acyltransferase 2 inhibitors and uses thereof 株式会社LG化学 2022-08-02 CN disclosed