SCHEMBL30003312

SCHEMBL30003312

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.49
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
GAPDH P04406 1/20 0.44
ALDH1A1 P00352 1/20 0.44
USP8 P40818 1/20 0.43
METAP1 P53582 2/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
MEN1 O00255 1/20 0.42
NSD2 O96028 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LCK P06239 2/20 0.41
ALKBH3 Q96Q83 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41

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
SCHEMBL9628296 1.00 PTPN1 (0.49) PTPN1CA1CA2CA4CA7
SCHEMBL10579406 0.93 PTPN1 (0.53) PTPN1CA1CA2CA4CA7
SCHEMBL9713721 0.84 P4HB (0.44) PTPN1GAPDHMEN1NSD2KMT2A
SCHEMBL9627540 0.82 MAPT (0.49) PTPN1CA1CA4CA7CA9
SCHEMBL30003084 0.81 IDO1 (0.62) PTPN1CA1CA2CA4CA7
SCHEMBL5822222 0.81 IDO1 (0.62) PTPN1CA1CA2CA4CA7
SCHEMBL30002619 0.81 ALDH1A1 (0.53) PTPN1CA1CA2CA4CA7
SCHEMBL12760759 0.81 ALDH1A1 (0.53) PTPN1CA1CA2CA4CA7
SCHEMBL9713700 0.80 PDK2 (0.39) ALDH1A1MEN1KMT2A
SCHEMBL23271902 0.79 PTPN1 (0.49) 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