SCHEMBL30003440

SCHEMBL30003440

COc1cccc2c1C(=O)C=CC2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 3/20 1.00
ALDH1A1 P00352 5/20 0.59
MAPT P10636 5/20 0.59
APAF1 O14727 1/20 0.59
MITF O75030 1/20 0.59
LMNA P02545 1/20 0.59
HTT P42858 1/20 0.59
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
IDO1 P14902 3/20 0.52
KDM4E B2RXH2 2/20 0.52
USP2 O75604 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
CDC25B P30305 2/20 0.52
PIN1 Q13526 2/20 0.52
THRB P10828 2/20 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
SCHEMBL3414850 1.00 TOP1 (1.00) TOP1ALDH1A1MAPTAPAF1MITF
SCHEMBL29018326 0.80 TOP1 (0.67) TOP1ALDH1A1MAPTAPAF1MITF
SCHEMBL24194098 0.79 TOP1 (0.66) TOP1ALDH1A1MAPTAPAF1LMNA
SCHEMBL30574283 0.79 TOP1 (0.66) TOP1ALDH1A1MAPTAPAF1LMNA
SCHEMBL29442957 0.78 TOP1 (0.63) TOP1ALDH1A1MAPTAPAF1MITF
SCHEMBL358094 0.78 TOP1 (0.63) TOP1ALDH1A1MAPTAPAF1MITF
SCHEMBL1287104 0.78 TOP1 (0.65) TOP1ALDH1A1MAPTLMNAHTT
SCHEMBL24194431 0.78 TOP1 (0.64) TOP1ALDH1A1MAPTAPAF1MITF
SCHEMBL3417492 0.77 EGFR (0.76) TOP1ALDH1A1MAPTAPAF1MITF
SCHEMBL28575370 0.77 MEN1 (0.72) TOP1ALDH1A1MAPTAPAF1MITF

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118047668-A Method for dehydrogenating and coupling benzyl C-H bond and quinone compound through iron catalysis 南京师范大学 2024-05-17 CN disclosed
CN-109553756-B Method for producing phosphorus-containing epoxy resin 日铁化学材料株式会社 2023-09-29 CN disclosed
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