SCHEMBL27416629

SCHEMBL27416629

CCC(=O)OCC(=O)N(C)CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
NAAA Q02083 1/20 0.38
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
ALDH1A1 P00352 6/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
BLM P54132 1/20 0.34
WRN Q14191 1/20 0.34
HIF1A Q16665 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TRPA1 O75762 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL24901520 0.82 KDM4E (0.42) CA12CA1CA2CA9NAAA
SCHEMBL13042034 0.80 LMNA (0.44) NAAAMGAMGAASIMGAM2
Hydrochloric Acid SCHEMBL23466978 0.80 KDM4E (0.41) CA12CA1CA2CA9NAAA
Hydrochloric Acid SCHEMBL8081237 0.78 LMNA (0.43) NAAAMGAMGAASIMGAM2
Hydrochloric Acid SCHEMBL8094881 0.78 LMNA (0.43) NAAAMGAMGAASIMGAM2
SCHEMBL13850483 0.75 ALDH1A1 (0.43) CA12CA1CA2CA9ALDH1A1
SCHEMBL12051314 0.75
SCHEMBL6237757 0.73
SCHEMBL792423 0.73
SCHEMBL4673337 0.72 GAA (0.55) NAAAMGAMGAASIMGAM2

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-2024116207-A1 ADAR1 INHIBITORS AND METHODS OF USING THE SAME AVAMMUNE THERAPEUTICS INC. (IN) 2024-06-06 WO disclosed