SCHEMBL28635378

SCHEMBL28635378

CC(C)C(=O)OCOP(=O)(O)OCOC(=O)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.30
PGK2 P07205 1/20 0.30
MMP1 P03956 1/20 0.30
MMP8 P22894 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 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
SCHEMBL25657141 0.90 TSHR (0.33) ALDH1A1
SCHEMBL16333596 0.89 FDPS (0.31) MMP1MMP8
SCHEMBL13347323 0.86 PGK1 (0.39) PGK1PGK2
SCHEMBL25682828 0.84 SAT1 (0.32)
SCHEMBL13347321 0.82 TP53 (0.42) ALDH1A1POLBMAPT
SCHEMBL25787155 0.80
SCHEMBL17725173 0.80 FABP3 (0.34)
SCHEMBL16575566 0.78
SCHEMBL25448158 0.78
SCHEMBL681184 0.77 ELANE (0.34) ALDH1A1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113712989-A Substituted nucleosides, nucleotides and analogs thereof 艾丽奥斯生物制药有限公司 2021-11-30 CN disclosed
CN-106604734-B Substituted nucleosides, nucleotides and analogs thereof 艾丽奥斯生物制药有限公司 2021-08-13 CN disclosed