SCHEMBL30003486

SCHEMBL30003486

COC1=CC(=O)c2c(O)c(O)cc(O)c2C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 3/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP3A4 P08684 2/20 0.43
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TTR P02766 1/20 0.43
CYP1A1 P04798 1/20 0.43
HSPD1 P10809 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
MAOA P21397 1/20 0.43
ACHE P22303 1/20 0.43
MAOB P27338 1/20 0.43
BRCA1 P38398 1/20 0.43
RECQL P46063 1/20 0.43
MMP14 P50281 1/20 0.43
DAPK1 P53355 1/20 0.43

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
SCHEMBL23271765 1.00 KDM4E (0.43) KDM4EMEN1MAPTKMT2ACYP3A4
SCHEMBL23271903 0.80 MEN1 (0.58) KDM4EMEN1MAPTKMT2ACYP3A4
SCHEMBL30004001 0.80 MEN1 (0.58) KDM4EMEN1MAPTKMT2ACYP3A4
SCHEMBL23271692 0.77 MAPT (0.63) KDM4EMEN1MAPTKMT2ACYP3A4
SCHEMBL30003519 0.77 MAPT (0.63) KDM4EMEN1MAPTKMT2ACYP3A4
SCHEMBL5816866 0.76 MAPT (0.50) KDM4EMEN1MAPTKMT2ACYP3A4
SCHEMBL30003545 0.76 MAPT (0.50) KDM4EMEN1MAPTKMT2ACYP3A4
SCHEMBL10402093 0.73 ELANE (0.56) KDM4EMEN1MAPTKMT2ACYP3A4
SCHEMBL10402096 0.73 ELANE (0.56) KDM4EMEN1MAPTKMT2ACYP3A4
SCHEMBL31536865 0.73 COPS5 (0.40) CYP3A4HKDC1IDO1ALOX5MPEG1

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