SCHEMBL28899599

SCHEMBL28899599

CN(C(=O)C1(O)Cc2ccccc2C1=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 3/20 0.38
POLB P06746 2/20 0.37
MAOA P21397 1/20 0.35
KDM4E B2RXH2 2/20 0.35
PKM P14618 1/20 0.35
SLC6A9 P48067 1/20 0.35
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL28391916 0.78 CA1 (0.43) LMNAL3MBTL1KDM4E
SCHEMBL9370952 0.78 L3MBTL1 (0.49) LMNAL3MBTL1HTTNPSR1KMT2A
SCHEMBL12083294 0.77 L3MBTL1 (0.44) LMNAL3MBTL1HTTNPSR1POLB
SCHEMBL29940790 0.73 ALDH1A1 (0.45) LMNAL3MBTL1HTTNPSR1KMT2A
SCHEMBL12083380 0.73 ALDH1A1 (0.45) LMNAL3MBTL1HTTNPSR1KMT2A
SCHEMBL28055380 0.73 ALDH1A1 (0.45) LMNAL3MBTL1HTTNPSR1KMT2A
SCHEMBL28234108 0.71 LMNA (0.58) LMNAL3MBTL1HTTNPSR1KMT2A
SCHEMBL28235061 0.70 TP53 (0.41) LMNAL3MBTL1HTTNPSR1POLB
SCHEMBL11073092 0.68 L3MBTL1 (0.47) LMNAL3MBTL1HTTNPSR1POLB
SCHEMBL28598864 0.68 DDB1 (0.54) LMNAL3MBTL1HTTNPSR1KMT2A

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-110372507-B Novel method for preparing chiral alpha-hydroxy-beta-dicarbonyl compound by photocatalytic asymmetric oxidation 大连理工大学 2022-04-15 CN disclosed
CN-110372506-B Novel method for realizing visible light catalytic asymmetric oxidation by utilizing microreactor 大连理工大学 2022-04-15 CN disclosed