SCHEMBL30003431

SCHEMBL30003431

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 1.00
KMT2A Q03164 8/20 1.00
MEN1 O00255 7/20 1.00
KDM4E B2RXH2 6/20 1.00
ALDH1A1 P00352 5/20 1.00
MAPK1 P28482 5/20 1.00
RECQL P46063 5/20 1.00
USP2 O75604 5/20 1.00
BLM P54132 4/20 1.00
POLB P06746 4/20 1.00
TXNRD1 Q16881 2/20 1.00
GAA P10253 2/20 1.00
THRB P10828 2/20 1.00
NPC1 O15118 1/20 1.00
RAB9A P51151 1/20 1.00
NPSR1 Q6W5P4 1/20 1.00
L3MBTL1 Q9Y468 1/20 1.00
CYP3A4 P08684 5/20 0.61
HPGD P15428 5/20 0.61
CYP1A2 P05177 4/20 0.61

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
SCHEMBL10409133 1.00 MAPT (1.00) MAPTKMT2AMEN1KDM4EALDH1A1
Maritinone SCHEMBL15661147 0.90 MAPT (0.81) MAPTKMT2AMEN1KDM4EALDH1A1
Maritinone SCHEMBL29514700 0.90 MAPT (0.81) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL30003519 0.78 MAPT (0.63) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL23271692 0.78 MAPT (0.63) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL5818746 0.77 MAPT (0.63) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL29791770 0.77 MAPT (0.63) MAPTKMT2AMEN1KDM4EALDH1A1
Plumbagin SCHEMBL34186 0.76 MAPT (1.00) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL1701095 0.76 MAPT (0.64) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL29601012 0.76 MAPT (0.64) MAPTKMT2AMEN1KDM4EALDH1A1

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