SCHEMBL30003252

SCHEMBL30003252

O=C1C=C(O)C(=O)c2cc(Cl)c(Cl)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
MAPT P10636 3/20 0.38
MAPK1 P28482 2/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
PTPN22 Q9Y2R2 1/20 0.38
CES1 P23141 1/20 0.36
HSP90AA1 P07900 1/20 0.36
XIAP P98170 1/20 0.35
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
AHR P35869 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
PABPC1 P11940 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
LCK P06239 2/20 0.34
POLB P06746 2/20 0.33
RECQL P46063 2/20 0.33

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
SCHEMBL18992102 1.00 KDM4E (0.38) KDM4EMAPTMAPK1HPGDALDH1A1
SCHEMBL9560142 0.87 KDM4E (0.36) KDM4EMAPTMAPK1HPGDALDH1A1
SCHEMBL9178309 0.82 BCL2 (0.48) KDM4EMAPTMAPK1HPGDALDH1A1
SCHEMBL8993580 0.78 XIAP (0.39) KDM4EMAPTMAPK1HPGDALDH1A1
SCHEMBL30002673 0.78 XIAP (0.39) KDM4EMAPTMAPK1HPGDALDH1A1
SCHEMBL976245 0.78 HSP90AA1 (0.53) KDM4EMAPTMAPK1HPGDALDH1A1
SCHEMBL30490 0.78 S100A4 (0.57) KDM4EMAPTMAPK1HPGDALDH1A1
SCHEMBL23271723 0.77 AURKA (0.41) KDM4EMAPTMAPK1HPGDALDH1A1
SCHEMBL30003509 0.77 AURKA (0.41) KDM4EMAPTMAPK1HPGDALDH1A1
SCHEMBL6683984 0.75 GAPDH (0.49) KDM4EMAPTMAPK1HPGDALDH1A1

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