SCHEMBL30004001

SCHEMBL30004001

COC1=CC(=O)c2c(O)ccc(O)c2C1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
MAPT P10636 3/20 0.58
KMT2A Q03164 3/20 0.58
TXNRD1 Q16881 2/20 0.58
KDM4E B2RXH2 2/20 0.58
USP2 O75604 2/20 0.58
MAPK1 P28482 2/20 0.58
NPC1 O15118 1/20 0.58
ALDH1A1 P00352 1/20 0.58
POLB P06746 1/20 0.58
GAA P10253 1/20 0.58
THRB P10828 1/20 0.58
RECQL P46063 1/20 0.58
RAB9A P51151 1/20 0.58
BLM P54132 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
PIM1 P11309 2/20 0.49
P4HB P07237 1/20 0.48
IDO1 P14902 7/20 0.47

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
SCHEMBL23271903 1.00 MEN1 (0.58) MEN1MAPTKMT2ATXNRD1KDM4E
SCHEMBL5821557 0.80 PIM1 (0.54) MEN1MAPTKMT2ATXNRD1KDM4E
SCHEMBL30003486 0.80 KDM4E (0.43) MEN1MAPTKMT2AKDM4EUSP2
SCHEMBL23271765 0.80 KDM4E (0.43) MEN1MAPTKMT2AKDM4EUSP2
SCHEMBL29728478 0.79 GAPDH (0.66) MEN1MAPTKMT2AKDM4EUSP2
SCHEMBL29728514 0.79 P4HB (0.74) MEN1MAPTKMT2AKDM4EUSP2
SCHEMBL5175513 0.79 GAPDH (0.66) MEN1MAPTKMT2AKDM4EUSP2
SCHEMBL5174769 0.79 P4HB (0.74) MEN1MAPTKMT2AKDM4EUSP2
SCHEMBL5820458 0.74 MAPT (0.53) MEN1MAPTKMT2AKDM4EUSP2
SCHEMBL30004035 0.74 MAPT (0.53) MEN1MAPTKMT2AKDM4EUSP2

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