SCHEMBL28520745

SCHEMBL28520745

CC(C)OC(=O)OC(=O)c1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
MAPT P10636 1/20 0.62
KMT2A Q03164 9/20 0.50
LMNA P02545 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
APP P05067 1/20 0.47
GAA P10253 1/20 0.47
HCAR3 P49019 1/20 0.47
HCAR2 Q8TDS4 1/20 0.47
THRB P10828 1/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
F7 P08709 1/20 0.46
F3 P13726 1/20 0.46
SARM1 Q6SZW1 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.46

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
SCHEMBL30827513 0.87 ALDH1A1 (0.78) ALDH1A1MAPTKMT2ALMNAL3MBTL1
SCHEMBL1628833 0.87 ALDH1A1 (0.78) ALDH1A1MAPTKMT2ALMNAL3MBTL1
Hydrochloric Acid SCHEMBL8066446 0.85 ALDH1A1 (0.76) ALDH1A1MAPTKMT2ALMNAL3MBTL1
SCHEMBL29458655 0.85 ALDH1A1 (0.76) ALDH1A1MAPTKMT2ALMNAL3MBTL1
SCHEMBL3751183 0.85 ALDH1A1 (0.74) ALDH1A1MAPTKMT2ALMNAL3MBTL1
Ammonia Solution, Strong SCHEMBL27461059 0.85 ALDH1A1 (0.76) ALDH1A1MAPTKMT2ALMNAL3MBTL1
SCHEMBL10603067 0.85 ALDH1A1 (0.67) ALDH1A1MAPTKMT2ALMNAL3MBTL1
SCHEMBL27851778 0.84 ALDH1A1 (0.62) ALDH1A1MAPTKMT2ALMNAL3MBTL1
SCHEMBL28309820 0.83 ALDH1A1 (0.65) ALDH1A1MAPTKMT2ALMNAL3MBTL1
SCHEMBL31648307 0.81 ALDH1A1 (0.71) ALDH1A1MAPTKMT2ALMNAL3MBTL1

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
CN-112105385-A IRAK degrading agents and uses thereof 凯麦拉医疗公司 2020-12-18 CN disclosed