SCHEMBL30002623

SCHEMBL30002623

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.69
ALDH1A1 P00352 4/20 0.69
APAF1 O14727 1/20 0.69
MITF O75030 1/20 0.69
LMNA P02545 1/20 0.69
HTT P42858 1/20 0.69
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
EGFR P00533 1/20 0.59
PIM1 P11309 1/20 0.59
BACE1 P56817 2/20 0.58
TOP1 P11387 1/20 0.57
ELANE P08246 6/20 0.54
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
KDM4E B2RXH2 3/20 0.49
RECQL P46063 2/20 0.49
TDP1 Q9NUW8 2/20 0.49

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
SCHEMBL9177790 1.00 MAPT (0.69) MAPTALDH1A1APAF1MITFLMNA
SCHEMBL9175021 0.87 BACE1 (0.65) MAPTALDH1A1APAF1MITFLMNA
SCHEMBL30003153 0.81 ALDH1A1 (0.71) MAPTALDH1A1APAF1MITFLMNA
SCHEMBL30003269 0.81 ALDH1A1 (1.00) MAPTALDH1A1APAF1MITFLMNA
SCHEMBL9627716 0.81 ALDH1A1 (1.00) MAPTALDH1A1APAF1MITFLMNA
SCHEMBL9627572 0.81 ALDH1A1 (0.71) MAPTALDH1A1APAF1MITFLMNA
SCHEMBL16879212 0.80 ALDH1A1 (0.69) MAPTALDH1A1APAF1MITFLMNA
SCHEMBL30003210 0.80 ALDH1A1 (0.69) MAPTALDH1A1APAF1MITFLMNA
SCHEMBL9629365 0.80 MAPT (0.69) MAPTALDH1A1APAF1MITFLMNA
SCHEMBL30002628 0.80 MAPT (0.69) MAPTALDH1A1APAF1MITFLMNA

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