SCHEMBL13769707

SCHEMBL13769707

CCOC(=O)C(COC(C)=O)(COC(C)C)C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
LMNA P02545 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MMP8 P22894 1/20 0.36
PKM P14618 2/20 0.35
KDM4E B2RXH2 1/20 0.35
THRB P10828 1/20 0.34
TSHR P16473 3/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP4F2 P78329 2/20 0.31
CYP4A11 Q02928 2/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL13134453 0.93 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL13134452 0.85 MMP8 (0.38) ALDH1A1MEN1KMT2AMMP8PKM
SCHEMBL13173276 0.84 MEN1 (0.32) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL13134458 0.82 ALDH1A1 (0.34) ALDH1A1LMNAHSD17B10TSHR
SCHEMBL13134451 0.82 ALDH1A1 (0.36) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL13134457 0.81 MMP8 (0.36) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL13064101 0.81 MMP8 (0.47) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL13173226 0.80 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL13063942 0.80 ALDH1A1 (0.52) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL383194 0.78 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10MEN1KMT2A

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
WO-2009086192-A1 BIODEGRADABLE PHOSPHATE PROTECTED NUCLEOTIDE DERIVATIVES AND THEIR USE AS CANCER, ANTI VIRAL AND ANTI PARASITIC AGENTS ALIOS BIOPHARMA, INC. (US) 2009-07-09 WO disclosed