SCHEMBL27854343

SCHEMBL27854343

CC(C)(C)CCOC(=O)CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
LDHA P00338 1/20 0.33
SRR Q9GZT4 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
FAAH O00519 1/20 0.32
NAALAD2 Q9Y3Q0 1/20 0.31
EGFR P00533 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL6429925 0.89 MGAM (0.46) MGAMGAASIMGAM2CYP2C19
SCHEMBL11434419 0.83 MGAM (0.46) MGAMGAASIMGAM2CYP2C19
SCHEMBL25171670 0.82 GAA (0.37) MGAMGAASIMGAM2FAAH
SCHEMBL24214077 0.78 ADRA2A (0.40) CYP2C19L3MBTL1
SCHEMBL27436791 0.78 MGAM (0.32) MGAMGAASIMGAM2CYP2C19
SCHEMBL27895694 0.77 GAA (0.30) GAA
SCHEMBL29021423 0.77 MIF (0.36) CYP2C19L3MBTL1
SCHEMBL10854964 0.77 CYP2C19 (0.56) CYP2C19L3MBTL1FAAH
SCHEMBL6792231 0.77 NAAA (0.50) GAACYP2C19L3MBTL1
SCHEMBL1247793 0.77 MGAM (0.39) MGAMGAASIMGAM2LDHA

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
CN-107108605-A Azaindole derivatives having AMPK activating effect 盐野义制药株式会社 2017-08-29 CN disclosed
CN-106413710-A Factor xia inhibitors 默沙东公司 2017-02-15 CN disclosed
CN-1946680-B Non-nucleoside reverse transcriptase inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2011-04-06 CN disclosed