SCHEMBL30003583

SCHEMBL30003583

COC1=CC(=O)c2cc(O)ccc2C1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.61
CDC25A P30304 1/20 0.61
CDC25B P30305 1/20 0.61
ESR1 P03372 7/20 0.52
ESR2 Q92731 6/20 0.52
MAOA P21397 1/20 0.52
UGT1A1 P22309 1/20 0.52
MAOB P27338 1/20 0.52
PTPN1 P18031 1/20 0.47
TDP2 O95551 2/20 0.46
NSD2 O96028 2/20 0.46
GAPDH P04406 1/20 0.44
HKDC1 Q2TB90 3/20 0.43
KDM4E B2RXH2 2/20 0.41
CYP3A4 P08684 2/20 0.41
MAPT P10636 2/20 0.41
ALOX15 P16050 1/20 0.41
TTR P02766 1/20 0.40
S100A4 P26447 1/20 0.40
PAX8 Q06710 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
SCHEMBL8581167 1.00 IDO1 (0.61) IDO1CDC25ACDC25BESR1ESR2
SCHEMBL9388961 0.83 IDO1 (0.61) IDO1CDC25ACDC25BPTPN1TDP2
SCHEMBL19853361 0.83 PTPN1 (0.61) IDO1CDC25ACDC25BESR1ESR2
SCHEMBL5822222 0.81 IDO1 (0.62) IDO1CDC25ACDC25BESR1ESR2
SCHEMBL9627801 0.81 CDC25A (0.62) IDO1CDC25ACDC25BMAOAMAOB
SCHEMBL30003084 0.81 IDO1 (0.62) IDO1CDC25ACDC25BESR1ESR2
SCHEMBL29223890 0.80 CDC25A (0.57) IDO1CDC25ACDC25BPTPN1TDP2
SCHEMBL29223980 0.80 IDO1 (0.57) IDO1CDC25ACDC25BPTPN1TDP2
SCHEMBL9628282 0.79 IDO1 (0.61) IDO1CDC25ACDC25BPTPN1TDP2
SCHEMBL30003034 0.79 IDO1 (0.61) IDO1CDC25ACDC25BPTPN1TDP2

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