SCHEMBL29453034

SCHEMBL29453034

CC(=O)NC1CC(C)(C)NC(C)(C)C1.[N]

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.53
POLB P06746 2/20 0.51
GAA P10253 1/20 0.50
ALDH1A1 P00352 1/20 0.47
EZH2 Q15910 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
ATM Q13315 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 1/20 0.46
GLA P06280 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL77511 0.98 RECQL (0.55) RECQLPOLBGAAALDH1A1EZH2
Sulfuric Acid SCHEMBL986271 0.90 RECQL (0.49) RECQLPOLBGAAALDH1A1EZH2
SCHEMBL6109968 0.87 RECQL (0.46) RECQLPOLBGAAALDH1A1EZH2
Nitrilotriacetic Acid SCHEMBL986939 0.83 GAA (0.48) RECQLPOLBGAAALDH1A1EZH2
SCHEMBL10525290 0.83 RECQL (0.57) RECQLPOLBGAAALDH1A1EZH2
SCHEMBL3295977 0.83 RECQL (0.57) RECQLPOLBGAAALDH1A1EZH2
SCHEMBL28402532 0.81 POLB (0.57) RECQLPOLBGAAALDH1A1EZH2
Edetic Acid SCHEMBL986441 0.81 GAA (0.46) RECQLPOLBGAAEZH2HTT
SCHEMBL9420237 0.80 GAA (0.48) RECQLPOLBGAAALDH1A1EZH2
Pentetic Acid SCHEMBL985300 0.79 GAA (0.45) RECQLPOLBGAAEZH2HTT

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
WO-2023232002-A1 METHOD FOR PREPARING CARBOXYLATE BY MEANS OF IRON-CATALYZED OXIDATION AND ESTERIFICATION OF ALCOHOL 复旦大学 2023-12-07 WO claimed
WO-2023232002-A1 METHOD FOR PREPARING CARBOXYLATE BY MEANS OF IRON-CATALYZED OXIDATION AND ESTERIFICATION OF ALCOHOL 复旦大学 2023-12-07 WO disclosed
CN-114031539-A Amidated cyclic nitroxide free radical compound and preparation method and application thereof 西安交通大学 2022-02-11 CN disclosed