SCHEMBL30003193

SCHEMBL30003193

CCC1=CC(=O)c2cc(OC)ccc2C1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
NSD2 O96028 1/20 0.54
KMT2A Q03164 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MPO P05164 1/20 0.49
PTPN1 P18031 2/20 0.47
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
GAPDH P04406 1/20 0.42
CYP19A1 P11511 1/20 0.42
NQO1 P15559 1/20 0.42
POR P16435 1/20 0.42
ALDH1A1 P00352 2/20 0.41
USP8 P40818 1/20 0.41
MALT1 Q9UDY8 1/20 0.41
METAP1 P53582 2/20 0.41
ESR1 P03372 1/20 0.40

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
SCHEMBL9627655 1.00 MEN1 (0.54) MEN1NSD2KMT2AL3MBTL1MPO
SCHEMBL9628141 0.94 KMT2A (0.54) MEN1NSD2KMT2AL3MBTL1MPO
SCHEMBL23271902 0.80 PTPN1 (0.49) MEN1NSD2KMT2AL3MBTL1PTPN1
SCHEMBL30004078 0.80 PTPN1 (0.49) MEN1NSD2KMT2AL3MBTL1PTPN1
SCHEMBL11252090 0.78 CDC25B (0.50) MEN1NSD2KMT2AL3MBTL1PTPN1
SCHEMBL30003084 0.78 IDO1 (0.62) MEN1NSD2KMT2AL3MBTL1PTPN1
SCHEMBL30002619 0.78 ALDH1A1 (0.53) MEN1NSD2KMT2AL3MBTL1PTPN1
SCHEMBL23271863 0.78 MAOA (0.50) MEN1NSD2KMT2AL3MBTL1PTPN1
SCHEMBL12760759 0.78 ALDH1A1 (0.53) MEN1NSD2KMT2AL3MBTL1PTPN1
SCHEMBL5822222 0.78 IDO1 (0.62) MEN1NSD2KMT2AL3MBTL1PTPN1

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