SCHEMBL30003047

SCHEMBL30003047

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 3/20 0.41
POR P16435 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NSD2 O96028 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PKM P14618 2/20 0.32
PLIN1 O60240 1/20 0.31
NR1I2 O75469 1/20 0.31
USP2 O75604 1/20 0.31
GSR P00390 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 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
SCHEMBL23271980 1.00 NQO1 (0.41) NQO1PORL3MBTL1MEN1KMT2A
SCHEMBL23271724 0.82 CES1 (0.33) L3MBTL1MEN1KMT2ANSD2ALDH1A1
SCHEMBL30003244 0.82 CES1 (0.33) L3MBTL1MEN1KMT2ANSD2ALDH1A1
SCHEMBL23271863 0.79 MAOA (0.50) NQO1PORL3MBTL1MEN1KMT2A
SCHEMBL13715099 0.79 GAPDH (0.49) L3MBTL1MEN1KMT2ANSD2ALDH1A1
SCHEMBL23271932 0.77 PTPN1 (0.40) PKMPTPN1S100A4SOAT1
SCHEMBL30003394 0.77 PTPN1 (0.40) PKMPTPN1S100A4SOAT1
SCHEMBL8759833 0.75 PTGS1 (0.41) MEN1KMT2ANSD2ALDH1A1MAPT
SCHEMBL23271866 0.75 PADI1 (0.39) NQO1PORMEN1KMT2ANSD2
SCHEMBL30003056 0.75 PADI1 (0.39) NQO1PORMEN1KMT2ANSD2

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