SCHEMBL30003084

SCHEMBL30003084

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.62
CDC25A P30304 1/20 0.62
CDC25B P30305 1/20 0.62
GAPDH P04406 1/20 0.56
PTPN1 P18031 3/20 0.50
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
NSD2 O96028 2/20 0.47
TDP2 O95551 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 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
SCHEMBL5822222 1.00 IDO1 (0.62) IDO1CDC25ACDC25BGAPDHPTPN1
SCHEMBL5809726 0.93 IDO1 (0.62) IDO1CDC25ACDC25BGAPDHPTPN1
SCHEMBL19853366 0.86 PTPN1 (0.62) IDO1CDC25ACDC25BGAPDHPTPN1
SCHEMBL9628193 0.85 CDC25B (0.54) IDO1CDC25ACDC25BGAPDHPTPN1
SCHEMBL11252090 0.85 CDC25B (0.50) IDO1CDC25ACDC25BGAPDHPTPN1
SCHEMBL30492234 0.85 IDO1 (0.52) IDO1CDC25ACDC25BGAPDHPTPN1
SCHEMBL9067171 0.85 IDO1 (0.52) IDO1CDC25ACDC25BGAPDHPTPN1
SCHEMBL9713690 0.83 IDO1 (0.51) IDO1CDC25ACDC25BGAPDHPTPN1
SCHEMBL10446705 0.82 IDO1 (0.50) IDO1CDC25ACDC25BGAPDHPTPN1
SCHEMBL12760759 0.82 ALDH1A1 (0.53) IDO1CDC25ACDC25BGAPDHPTPN1

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