SCHEMBL30447178

SCHEMBL30447178

O=C([O-])c1cc2ccccc2cc1C(=O)[O-].O=C([O-])c1cc2ccccc2cc1C(=O)[O-].O=C([O-])c1cc2ccccc2cc1C(=O)[O-].[Ce+3].[Ce+3]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.48
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 2/20 0.48
MAPT P10636 3/20 0.44
GAA P10253 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MITF O75030 1/20 0.44
NCOA1 Q15788 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
GFER P55789 1/20 0.42
NGLY1 Q96IV0 1/20 0.42
CA4 P22748 3/20 0.42
CA2 P00918 2/20 0.42
PTPN1 P18031 1/20 0.41
MYC P01106 1/20 0.40

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
SCHEMBL29904664 0.95 KDM4E (0.54) IDO1KDM4EALDH1A1HPGDMAPT
Potassium Ion SCHEMBL10348258 0.95 IDO1 (0.48) IDO1KDM4EALDH1A1HPGDMAPT
Lithium Ion SCHEMBL12983973 0.95 IDO1 (0.48) IDO1KDM4EALDH1A1HPGDMAPT
SCHEMBL8411322 0.82 MEN1 (0.56) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL6697934 0.82 MEN1 (0.56) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL9808578 0.82 MEN1 (0.56) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL10800186 0.82 MEN1 (0.56) KDM4EALDH1A1HPGDMAPTGAA
Lithium Ion SCHEMBL5874911 0.82 MEN1 (0.56) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL3870643 0.82 KDM4E (0.57) KDM4EALDH1A1HPGDMAPTGAA
Zinc Ion SCHEMBL5964694 0.82 MEN1 (0.56) KDM4EALDH1A1HPGDMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116409748-B Hydrogen production composition, preparation method thereof and hydrogen production method 中国石油天然气股份有限公司 2024-11-12 CN claimed
CN-116409748-B Hydrogen production composition, preparation method thereof and hydrogen production method 中国石油天然气股份有限公司 2024-11-12 CN disclosed
CN-117985651-A Underground hydrogen source based on hydrocarbon low-temperature catalytic hydrogen transfer and preparation method and application method thereof 中国石油天然气股份有限公司 2024-05-07 CN disclosed
CN-116409748-A Hydrogen production composition, preparation method thereof and hydrogen production method 中国石油天然气股份有限公司 2023-07-11 CN disclosed