SCHEMBL10945776

SCHEMBL10945776

CCC(O)(CC)C(=O)C1=CC=C2C(=Cc3ccccc32)C1=O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 1/20 0.34
▸ CDC25B P30305 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MCL1 Q07820 1/20 0.32
▸ IDO1 P14902 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
SCHEMBL10943592 0.85 CDC25A (0.36) CDC25ACDC25BALDH1A1
SCHEMBL10945370 0.84 — —
SCHEMBL10941916 0.80 CDC25B (0.35) CDC25ACDC25BALDH1A1MAPTHPGD
SCHEMBL9680503 0.79 CDC25A (0.34) CDC25ACDC25BALDH1A1MAPT
SCHEMBL8014888 0.79 CDC25A (0.40) CDC25ACDC25BALDH1A1MAPTHPGD
SCHEMBL604996 0.77 MAOA (0.39) CDC25ACDC25BALDH1A1MAPTMCL1
Anthraquinone SCHEMBL8529111 0.76 CDC25B (0.41) CDC25ACDC25BALDH1A1MAPTMCL1
SCHEMBL31536344 0.76 CDC25A (0.35) CDC25ACDC25B
SCHEMBL10947815 0.76 CDC25A (0.32) CDC25ACDC25B
SCHEMBL10949461 0.75 CDC25B (0.36) CDC25ACDC25BALDH1A1MAPTPKM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4496447-A PHOTOPOLYMERIZATION OF UNSATURATED COMPOUNDS AND FOR CURING PRINTING INKS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1985-01-29 — — US disclosed
US-4374984-A Aromatic-aliphatic ketones useful as photoinitiators MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-02-22 — — US disclosed
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