SCHEMBL30003176

SCHEMBL30003176

CC1=C(O)C(=O)c2cc(Cl)c(Cl)cc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 1/20 0.43
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
LCK P06239 3/20 0.37
CES1 P23141 1/20 0.36
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
MAPK1 P28482 1/20 0.35
AHR P35869 1/20 0.35
APAF1 O14727 1/20 0.34
TDP2 O95551 1/20 0.34
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
ACLY P53396 2/20 0.33
HSP90AA1 P07900 1/20 0.32
S100A4 P26447 1/20 0.32
UGT1A1 P22309 1/20 0.32
HPGD P15428 2/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL23271876 1.00 DUSP3 (0.43) DUSP3MAOAMAOBLCKCES1
SCHEMBL23271704 0.84 MAOA (0.52) MAOAMAOBLCKCES1CDK4
SCHEMBL30003579 0.84 MAOA (0.52) MAOAMAOBLCKCES1CDK4
SCHEMBL30002598 0.82 DUSP3 (0.46) DUSP3MAOAMAOBMAPK1APAF1
SCHEMBL23271977 0.82 DUSP3 (0.46) DUSP3MAOAMAOBMAPK1APAF1
SCHEMBL23271795 0.80 S100A4 (0.55) DUSP3MAOAMAOBCES1MAPK1
SCHEMBL8993506 0.80 S100A4 (0.55) DUSP3MAOAMAOBCES1MAPK1
SCHEMBL23271681 0.75 ESR2 (0.65) MAOAMAOBLCKESR1ESR2
SCHEMBL23271984 0.75 MAOA (0.73) DUSP3MAOAMAOBLCKAPAF1
SCHEMBL30003553 0.75 MAOA (0.73) DUSP3MAOAMAOBLCKAPAF1

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