SCHEMBL30003654

SCHEMBL30003654

COc1ccc2c(c1)C(=O)C(C)=C(C)C2=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.57
MAOB P27338 1/20 0.57
IDO1 P14902 2/20 0.53
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA4 P22748 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
PTPN1 P18031 1/20 0.51
LCK P06239 2/20 0.50
CDC25A P30304 1/20 0.50
CDC25B P30305 1/20 0.50
ALDH1A1 P00352 1/20 0.50
NQO1 P15559 2/20 0.49
POR P16435 2/20 0.49
PRKACA P17612 1/20 0.49
PRKACG P22612 1/20 0.49
PRKACB P22694 1/20 0.49
USP8 P40818 2/20 0.49
METAP1 P53582 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
SCHEMBL23271658 1.00 MAOA (0.57) MAOAMAOBIDO1CA1CA2
SCHEMBL5811522 0.90 CDC25A (0.66) MAOAMAOBIDO1CA1CA2
SCHEMBL7451901 0.89 CA1 (0.57) IDO1CA1CA2CA4CA7
SCHEMBL2252533 0.89 CA1 (0.57) IDO1CA1CA2CA4CA7
SCHEMBL30003082 0.87 LCK (0.51) MAOAMAOBIDO1CA1CA2
SCHEMBL23271650 0.87 LCK (0.51) MAOAMAOBIDO1CA1CA2
SCHEMBL2993382 0.85 CA1 (0.53) IDO1CA1CA2CA4CA7
SCHEMBL10885799 0.85 CA1 (0.53) IDO1CA1CA2CA4CA7
SCHEMBL23111388 0.85 CA1 (0.57) IDO1CA1CA2CA4CA7
SCHEMBL29595732 0.85 CA1 (0.57) IDO1CA1CA2CA4CA7

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