SCHEMBL8359103

SCHEMBL8359103

CC(C)COC(=O)OOC(C)(C)CC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
NFKB1 P19838 1/20 0.33
PTGS1 P23219 1/20 0.33
APEX1 P27695 1/20 0.33
THPO P40225 1/20 0.33
PMP22 Q01453 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 1/20 0.30
MAPK1 P28482 1/20 0.30
NR1H3 Q13133 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL30877067 0.90 TSHR (0.34) TSHRALDH1A1MEN1LMNACYP3A4
SCHEMBL11516470 0.88
SCHEMBL27338201 0.85 EGFR (0.32)
SCHEMBL7125831 0.84 TSHR (0.37) TSHRALDH1A1MEN1LMNACYP3A4
SCHEMBL11516892 0.83 PRKCA (0.34)
SCHEMBL11516315 0.81
SCHEMBL8040190 0.81 TSHR (0.41) TSHRALDH1A1MEN1LMNACYP3A4
SCHEMBL7059830 0.81 TSHR (0.35) TSHRALDH1A1MEN1LMNACYP3A4
SCHEMBL11515620 0.79
SCHEMBL11514718 0.78

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
US-5973181-A BIS(2,2-BIS(TERT-ALKYLPEROXYCARBONYLOXYMETHYL)ALKYL CARBONATE NOF CORPORATION (JP) 1999-10-26 US disclosed