SCHEMBL30003269

SCHEMBL30003269

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 1.00
MAPT P10636 5/20 1.00
LMNA P02545 2/20 1.00
APAF1 O14727 1/20 1.00
MITF O75030 1/20 1.00
HTT P42858 1/20 1.00
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
TP53 P04637 2/20 0.60
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 2/20 0.60
HSPD1 P10809 2/20 0.60
HPGD P15428 2/20 0.60
MAPK1 P28482 2/20 0.60
CDC25A P30304 2/20 0.60
CDC25B P30305 2/20 0.60
BLM P54132 2/20 0.60
HSPE1 P61604 2/20 0.60
TST Q16762 2/20 0.60

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
SCHEMBL9627716 1.00 ALDH1A1 (1.00) ALDH1A1MAPTLMNAAPAF1MITF
SCHEMBL30003153 0.83 ALDH1A1 (0.71) ALDH1A1MAPTLMNAAPAF1MITF
SCHEMBL9627572 0.83 ALDH1A1 (0.71) ALDH1A1MAPTLMNAAPAF1MITF
SCHEMBL9629398 0.82 MAPT (0.69) ALDH1A1MAPTLMNAAPAF1MITF
SCHEMBL19409294 0.82 ALDH1A1 (0.69) ALDH1A1MAPTLMNAAPAF1MITF
SCHEMBL16879212 0.81 ALDH1A1 (0.69) ALDH1A1MAPTLMNAAPAF1MITF
SCHEMBL9177790 0.81 MAPT (0.69) ALDH1A1MAPTLMNAAPAF1MITF
SCHEMBL30003210 0.81 ALDH1A1 (0.69) ALDH1A1MAPTLMNAAPAF1MITF
SCHEMBL9629365 0.81 MAPT (0.69) ALDH1A1MAPTLMNAAPAF1MITF
SCHEMBL30002623 0.81 MAPT (0.69) ALDH1A1MAPTLMNAAPAF1MITF

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