SCHEMBL30002968

SCHEMBL30002968

CC1=CC(=O)c2c(C)cccc2C1=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.68
MAPT P10636 5/20 0.68
MAPK1 P28482 4/20 0.68
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
BLM P54132 3/20 0.68
CYP3A4 P08684 3/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
KDM4E B2RXH2 3/20 0.68
RECQL P46063 3/20 0.68
TP53 P04637 2/20 0.68
CYP1A2 P05177 2/20 0.68
HSPD1 P10809 2/20 0.68
HPGD P15428 2/20 0.68
CDC25A P30304 2/20 0.68
CDC25B P30305 2/20 0.68
HSPE1 P61604 2/20 0.68
TST Q16762 2/20 0.68
MAP2K7 O14733 1/20 0.68
TRPA1 O75762 1/20 0.68

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
SCHEMBL5805855 1.00 ALDH1A1 (0.68) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL4304091 0.85 ALDH1A1 (0.64) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL30594717 0.85 ALDH1A1 (0.64) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL29906401 0.84 ALDH1A1 (0.59) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL5811709 0.84 ALDH1A1 (0.59) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL23271937 0.82 ALDH1A1 (0.47) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL30002641 0.82 ALDH1A1 (0.47) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL28931375 0.82 ALDH1A1 (0.65) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL30069052 0.82 ALDH1A1 (0.65) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL5806297 0.81 MAPT (0.54) ALDH1A1MAPTMAPK1MEN1KMT2A

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