SCHEMBL30002568

SCHEMBL30002568

CC1=C(C)C(=O)c2c(O)ccc(O)c2C1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.58
MEN1 O00255 7/20 0.58
KMT2A Q03164 7/20 0.58
KDM4E B2RXH2 5/20 0.58
ALDH1A1 P00352 5/20 0.58
RECQL P46063 4/20 0.58
MAPK1 P28482 4/20 0.58
USP2 O75604 3/20 0.58
BLM P54132 3/20 0.58
POLB P06746 3/20 0.58
THRB P10828 2/20 0.58
TXNRD1 Q16881 2/20 0.58
NPC1 O15118 1/20 0.58
GAA P10253 1/20 0.58
RAB9A P51151 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MAOA P21397 4/20 0.54
CSNK2A2 P19784 2/20 0.52
CSNK2B P67870 2/20 0.52

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
SCHEMBL198006 1.00 MAPT (0.58) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL30004289 0.87 MEN1 (0.52) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL5810491 0.87 MEN1 (0.52) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL18352408 0.85 MEN1 (0.46) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL17183612 0.84 MEN1 (0.48) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL3192484 0.82 CSNK2A2 (0.70) MAPTMEN1KMT2AKDM4EALDH1A1
Magnesium SCHEMBL30721501 0.79 CSNK2A2 (0.67) MAPTMEN1KMT2AKDM4EALDH1A1
Lithium SCHEMBL31438906 0.79 CSNK2A2 (0.67) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL13657177 0.79 CSNK2A2 (0.60) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL5793791 0.77 MAOA (0.72) MAPTMEN1KMT2AKDM4EALDH1A1

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-110891980-B Radical polymerization control agent and radical polymerization control method 川崎化成工业株式会社 2022-09-30 CN disclosed