SCHEMBL30003244

SCHEMBL30003244

CCC1=CC(=O)c2cc(Cl)c(Cl)cc2C1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 1/20 0.32
NSD2 O96028 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPK1 P28482 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
PKM P14618 1/20 0.31

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
SCHEMBL23271724 1.00 CES1 (0.33) CES1L3MBTL1MEN1NSD2KMT2A
SCHEMBL30003047 0.82 NQO1 (0.41) L3MBTL1MEN1NSD2KMT2AMAPK1
SCHEMBL23271980 0.82 NQO1 (0.41) L3MBTL1MEN1NSD2KMT2AMAPK1
SCHEMBL23271842 0.80 S100A4 (0.47) CES1L3MBTL1MEN1NSD2KMT2A
SCHEMBL13715099 0.78 GAPDH (0.49) L3MBTL1MEN1NSD2KMT2AMAPK1
SCHEMBL23271932 0.75 PTPN1 (0.40) PKMPTPN1
SCHEMBL30003394 0.75 PTPN1 (0.40) PKMPTPN1
SCHEMBL23271863 0.74 MAOA (0.50) L3MBTL1MEN1NSD2KMT2AMAPK1
SCHEMBL23271966 0.74 S100A4 (0.39) CES1MEN1NSD2KMT2AMAPK1
SCHEMBL23271738 0.74 ALDH1A1 (0.52) CES1L3MBTL1MEN1KMT2AMAPK1

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