SCHEMBL30002656

SCHEMBL30002656

COC1=CC(=O)c2c(C)cccc2C1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 2/20 0.61
CDC25B P30305 2/20 0.61
IDO1 P14902 2/20 0.61
MAPT P10636 3/20 0.53
ALDH1A1 P00352 2/20 0.53
APAF1 O14727 1/20 0.53
MITF O75030 1/20 0.53
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
PTPN1 P18031 1/20 0.51
HKDC1 Q2TB90 3/20 0.49
TDP2 O95551 2/20 0.49
NSD2 O96028 2/20 0.49
PAX8 Q06710 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
GAPDH P04406 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
TP53 P04637 2/20 0.44
CYP3A4 P08684 2/20 0.44

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
SCHEMBL8579585 1.00 CDC25A (0.61) CDC25ACDC25BIDO1MAPTALDH1A1
SCHEMBL29985434 0.86 IDO1 (0.61) CDC25ACDC25BIDO1MAPTALDH1A1
SCHEMBL8580202 0.86 IDO1 (0.61) CDC25ACDC25BIDO1MAPTALDH1A1
SCHEMBL30003153 0.83 ALDH1A1 (0.71) CDC25ACDC25BIDO1MAPTALDH1A1
SCHEMBL9627572 0.83 ALDH1A1 (0.71) CDC25ACDC25BIDO1MAPTALDH1A1
SCHEMBL5175513 0.81 GAPDH (0.66) CDC25ACDC25BIDO1MAPTALDH1A1
SCHEMBL29728478 0.81 GAPDH (0.66) CDC25ACDC25BIDO1MAPTALDH1A1
SCHEMBL30002572 0.81 IDO1 (0.59) CDC25ACDC25BIDO1MAPTALDH1A1
SCHEMBL9628632 0.81 IDO1 (0.59) CDC25ACDC25BIDO1MAPTALDH1A1
SCHEMBL9627964 0.80 CDC25A (0.62) CDC25ACDC25BIDO1MAPTALDH1A1

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