SCHEMBL3973634

SCHEMBL3973634

[2H]C([2H])([2H])C(O)(CCCC(C)CC)C([2H])([2H])[2H]

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL112618 0.84 ALDH1A1 (0.43) MEN1CYP3A4ALOX15KMT2A
SCHEMBL10070256 0.84 ALDH1A1 (0.43) MEN1CYP3A4ALOX15KMT2A
SCHEMBL10070736 0.84 ALDH1A1 (0.43) MEN1CYP3A4ALOX15KMT2A
Alcohol SCHEMBL5316638 0.80 ALDH1A1 (0.39) MEN1CYP3A4ALOX15KMT2A
SCHEMBL22833075 0.78 MEN1 (0.48) MEN1CYP3A4ALOX15KMT2A
SCHEMBL26666745 0.73 MEN1 (0.34) MEN1CYP3A4ALOX15KMT2A
SCHEMBL28583006 0.72 MEN1 (0.35) MEN1CYP3A4ALOX15KMT2A
SCHEMBL5370214 0.72 ALDH1A1 (0.45) MEN1CYP3A4ALOX15KMT2A
SCHEMBL1517434 0.72 MEN1 (0.36) MEN1CYP3A4ALOX15KMT2A
SCHEMBL7949299 0.71 MEN1 (0.37) MEN1CYP3A4ALOX15KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879596-A4 20-ALKYL, GEMINI VITAMIN D3 COMPOUNDS AND METHODS OF USE THEREOF BIOXELL SPA (IT) 2009-01-21 EP disclosed
EP-1879596-A1 20-ALKYL, GEMINI VITAMIN D3 COMPOUNDS AND METHODS OF USE THEREOF Bioxell S.p.a. (IT) 2008-01-23 EP disclosed
WO-2006102647-A1 20-ALKYL, GEMINI VITAMIN D3 COMPOUNDS AND METHODS OF USE THEREOF BIOXELL S.P.A. (IT) 2006-09-28 WO disclosed