SCHEMBL30003387

SCHEMBL30003387

COc1cccc2c1C(=O)C(C)=C(C)C2=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
MAPT P10636 3/20 0.62
APAF1 O14727 1/20 0.62
MITF O75030 1/20 0.62
LMNA P02545 1/20 0.62
HTT P42858 1/20 0.62
EGFR P00533 1/20 0.62
PIM1 P11309 1/20 0.62
ELANE P08246 4/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
KDM4E B2RXH2 1/20 0.55
USP2 O75604 1/20 0.55
DUSP3 P51452 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
TOP1 P11387 1/20 0.55
IDO1 P14902 2/20 0.52
CDC25A P30304 1/20 0.52

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
SCHEMBL23271965 1.00 ALDH1A1 (0.62) ALDH1A1MAPTAPAF1MITFLMNA
SCHEMBL9628329 0.91 ALDH1A1 (0.60) ALDH1A1MAPTAPAF1MITFLMNA
SCHEMBL3417492 0.88 EGFR (0.76) ALDH1A1MAPTAPAF1MITFLMNA
SCHEMBL9628316 0.86 MAPT (0.55) ALDH1A1MAPTAPAF1MITFLMNA
SCHEMBL23271858 0.86 EGFR (0.64) ALDH1A1MAPTAPAF1MITFLMNA
SCHEMBL30003168 0.86 EGFR (0.64) ALDH1A1MAPTAPAF1MITFLMNA
SCHEMBL8947495 0.86 EGFR (0.73) ALDH1A1MAPTAPAF1MITFLMNA
SCHEMBL7792566 0.84 EGFR (0.71) ALDH1A1MAPTAPAF1MITFLMNA
SCHEMBL28575370 0.84 MEN1 (0.72) ALDH1A1MAPTAPAF1MITFLMNA
SCHEMBL612831 0.82 MAPT (0.74) ALDH1A1MAPTAPAF1MITFLMNA

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