SCHEMBL28685368

SCHEMBL28685368

COC(=O)c1cccc(C(=O)OS(=O)(=O)c2ccccc2)c1.[NaH]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
GAA P10253 1/20 0.51
PKM P14618 1/20 0.51
HPGD P15428 1/20 0.51
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
ACLY P53396 2/20 0.48
CTSG P08311 1/20 0.48
CMA1 P23946 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
TCF4 P15884 2/20 0.47
CTNNB1 P35222 2/20 0.47
PTGS2 P35354 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
SCHEMBL27789221 0.98 TSHR (0.55) TSHRALDH1A1KDM4EGAAPKM
SCHEMBL28794420 0.92 TDP1 (0.44) ALDH1A1KDM4EGAAPKMHPGD
SCHEMBL3026702 0.84 F2 (0.50) TSHRALDH1A1KDM4EPOLBKMT2A
SCHEMBL28454804 0.83 TSHR (0.58) TSHRALDH1A1KDM4EGAAPKM
SCHEMBL3018655 0.82 F2 (0.52) TSHRALDH1A1KDM4EPOLBKMT2A
Sulfuric Acid SCHEMBL27302538 0.80 POLB (0.62) TSHRALDH1A1KDM4EPOLBRAB9A
SCHEMBL5974785 0.80 F2 (0.50) TSHRALDH1A1KDM4EPOLBKMT2A
SCHEMBL20791898 0.80 TSHR (0.55) TSHRALDH1A1KDM4EGAAPKM
Methyl Benzoate SCHEMBL28106657 0.80 TSHR (0.83) TSHRALDH1A1HPGDPOLBRAB9A
SCHEMBL8054504 0.80 TSHR (0.67) TSHRALDH1A1POLBRAB9ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113896873-B Branched polyester ionomer auxiliary agent constructed based on ionic bonds and preparation method and application thereof 重庆文理学院 2023-01-10 CN claimed
CN-113896873-A Branched polyester ionomer auxiliary agent constructed based on ionic bonds and preparation method and application thereof 重庆文理学院 2022-01-07 CN claimed
CN-113980258-B Antibacterial flame-retardant toughened multifunctional ionomer auxiliary agent and preparation method and application thereof 重庆文理学院 2023-01-17 CN disclosed
CN-113896873-B Branched polyester ionomer auxiliary agent constructed based on ionic bonds and preparation method and application thereof 重庆文理学院 2023-01-10 CN disclosed
CN-113980258-A Antibacterial flame-retardant toughened multifunctional ionomer auxiliary agent and preparation method and application thereof 重庆文理学院 2022-01-28 CN disclosed
CN-113896873-A Branched polyester ionomer auxiliary agent constructed based on ionic bonds and preparation method and application thereof 重庆文理学院 2022-01-07 CN disclosed