SCHEMBL30004012

SCHEMBL30004012

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH3 Q96Q83 1/20 0.53
PTPN1 P18031 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
LCK P06239 2/20 0.49
ALDH1A1 P00352 1/20 0.49
IDO1 P14902 3/20 0.48
PRKACA P17612 1/20 0.48
PRKACG P22612 1/20 0.48
PRKACB P22694 1/20 0.48
USP8 P40818 2/20 0.47
METAP1 P53582 2/20 0.47
DNMT1 P26358 1/20 0.46
DNMT3L Q9UJW3 1/20 0.46
DNMT3A Q9Y6K1 1/20 0.46
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46

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
SCHEMBL9656985 1.00 ALKBH3 (0.53) ALKBH3PTPN1CA1CA2CA4
SCHEMBL23271934 0.88 TDP2 (0.55) ALKBH3PTPN1CA1CA2CA4
SCHEMBL30003100 0.88 TDP2 (0.55) ALKBH3PTPN1CA1CA2CA4
SCHEMBL7451901 0.87 CA1 (0.57) PTPN1CA1CA2CA4CA7
SCHEMBL2252533 0.87 CA1 (0.57) PTPN1CA1CA2CA4CA7
SCHEMBL16745457 0.86 ALKBH3 (0.52) ALKBH3PTPN1ALDH1A1IDO1DNMT1
SCHEMBL9713312 0.85 CYP19A1 (0.47) ALKBH3PTPN1CA1CA2CA4
SCHEMBL9628518 0.85 CYP19A1 (0.47) ALKBH3PTPN1CA1CA2CA4
SCHEMBL10885799 0.83 CA1 (0.53) PTPN1CA1CA2CA4CA7
SCHEMBL2993382 0.83 CA1 (0.53) PTPN1CA1CA2CA4CA7

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