SCHEMBL20428797

SCHEMBL20428797

COC(C)CC1CCC(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.40
USP30 Q70CQ3 1/20 0.33
LPL P06858 2/20 0.32
LIPG Q9Y5X9 2/20 0.32
AAK1 Q2M2I8 1/20 0.31
NOTUM Q6P988 1/20 0.31
HIF1A Q16665 1/20 0.30

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
SCHEMBL29579430 0.83 DGAT1 (0.43) DGAT1USP30LPLLIPGNOTUM
SCHEMBL196887 0.83 DGAT1 (0.43) DGAT1USP30LPLLIPGNOTUM
SCHEMBL16787857 0.82 DGAT1 (0.40) DGAT1USP30LPLLIPGNOTUM
SCHEMBL16787859 0.79 DGAT1 (0.49) DGAT1USP30AAK1HIF1A
Methane SCHEMBL28521588 0.77 DGAT1 (0.41) DGAT1USP30LPLLIPGHIF1A
SCHEMBL20791777 0.76 DGAT1 (0.40) DGAT1USP30LPLLIPG
SCHEMBL29601147 0.73 USP30 (0.39) DGAT1USP30LPLLIPG
SCHEMBL20364714 0.73 USP30 (0.39) DGAT1USP30LPLLIPG
SCHEMBL22558630 0.73 DGAT1 (0.40) DGAT1USP30LPLLIPGAAK1
SCHEMBL17129006 0.71 DGAT1 (0.53) DGAT1LPLLIPGHIF1A

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
EP-2862856-B1 IMIDAZOLE AND TRIAZOLE COMPOUNDS AS DGAT-1 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2018-08-01 EP disclosed