SCHEMBL30570944

SCHEMBL30570944

O=C([O-])c1cccc2c(C(=O)[O-])cccc12.O=C([O-])c1cccc2c(C(=O)[O-])cccc12.[Th+4]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
MMP3 P08254 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
PRNP P04156 1/20 0.38
ALOX15 P16050 1/20 0.38
PTPN1 P18031 1/20 0.38
CDC25B P30305 1/20 0.38
PLK1 P53350 1/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CES2 O00748 1/20 0.34
BCHE P06276 1/20 0.34
CES1 P23141 1/20 0.34

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
SCHEMBL29067034 1.00 KDM4E (0.50) KDM4EALDH1A1HPGDNR4A1NR4A2
SCHEMBL28397146 0.95 KDM4E (0.50) KDM4EALDH1A1HPGDNR4A1NR4A2
SCHEMBL29067054 0.95 KDM4E (0.50) KDM4EALDH1A1HPGDNR4A1NR4A2
SCHEMBL28397215 0.95 KDM4E (0.50) KDM4EALDH1A1HPGDNR4A1NR4A2
Zinc Ion SCHEMBL31514058 0.95 KDM4E (0.50) KDM4EALDH1A1HPGDNR4A1NR4A2
SCHEMBL28560686 0.95 KDM4E (0.56) KDM4EALDH1A1HPGDNR4A1NR4A2
SCHEMBL28400348 0.95 KDM4E (0.50) KDM4EALDH1A1HPGDNR4A1NR4A2
SCHEMBL30570939 0.95 KDM4E (0.50) KDM4EALDH1A1HPGDNR4A1NR4A2
SCHEMBL30570942 0.95 KDM4E (0.50) KDM4EALDH1A1HPGDNR4A1NR4A2
SCHEMBL30570941 0.95 KDM4E (0.50) KDM4EALDH1A1HPGDNR4A1NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113522287-B Carbon-supported metal catalyst with hierarchical pore structure, preparation method and application thereof 中科合成油技术股份有限公司 2023-09-12 CN claimed
CN-113522287-B Carbon-supported metal catalyst with hierarchical pore structure, preparation method and application thereof 中科合成油技术股份有限公司 2023-09-12 CN disclosed