SCHEMBL30003093

SCHEMBL30003093

CC1CCC2=C(C1)C(=O)c1ccccc1C2=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CDC25B P30305 3/20 0.39
IDO1 P14902 3/20 0.39
ACHE P22303 3/20 0.39
KDM4E B2RXH2 4/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 3/20 0.38
CES1 P23141 3/20 0.38
RAB9A P51151 3/20 0.38
BLM P54132 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 2/20 0.38
CES2 O00748 2/20 0.38
TDP2 O95551 2/20 0.38
THRB P10828 2/20 0.38
MAPK1 P28482 2/20 0.38
RECQL P46063 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
APAF1 O14727 1/20 0.38

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
SCHEMBL2490574 1.00 MEN1 (0.39) MEN1KMT2ACDC25BIDO1ACHE
SCHEMBL23271844 0.82 MAOB (0.49) ACHEPOLBMAPK1MAOATSHR
SCHEMBL30608891 0.82 MAOB (0.49) ACHEPOLBMAPK1MAOATSHR
SCHEMBL2493018 0.82 MAOB (0.49) ACHEPOLBMAPK1MAOATSHR
SCHEMBL2491377 0.79 IDO1 (0.37) MEN1KMT2ACDC25BIDO1ACHE
SCHEMBL2491502 0.78 CDC25B (0.48) MEN1KMT2ACDC25BIDO1ACHE
SCHEMBL30608892 0.78 CDC25B (0.48) MEN1KMT2ACDC25BIDO1ACHE
SCHEMBL2491374 0.78 MEN1 (0.39) MEN1KMT2ACDC25BIDO1KDM4E
SCHEMBL23271865 0.78 KMT2A (0.39) MEN1KMT2ACDC25BIDO1KDM4E
SCHEMBL183347 0.77 LMNA (0.39) MEN1KMT2ACDC25BIDO1ACHE

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