Zinc Ion

Zinc Ion

SCHEMBL28535948

O=P([O-])([O-])CCCc1ccccc1.[Zn+2]

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
FDFT1 P37268 2/20 0.46
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
MAPK1 P28482 1/20 0.45
ADRA1A P35348 1/20 0.45
SLC6A3 Q01959 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
S1PR2 O95136 2/20 0.45
S1PR4 O95977 2/20 0.45
S1PR1 P21453 2/20 0.45

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
SCHEMBL28529985 0.96 TSHR (0.50) TSHRFDFT1HDAC3HDAC4HDAC1
Zinc Ion SCHEMBL28530931 0.94 TSHR (0.53) TSHRFDFT1HDAC3HDAC4HDAC1
Zinc Ion SCHEMBL28543480 0.92 TSHR (0.52) TSHRFDFT1HDAC1S1PR2S1PR4
SCHEMBL28541500 0.90 TSHR (0.53) TSHRFDFT1HDAC3HDAC4HDAC1
SCHEMBL28530941 0.88 TSHR (0.52) TSHRFDFT1HDAC1S1PR2S1PR4
Zinc Ion SCHEMBL28535952 0.87 TSHR (0.53) TSHRFDFT1SMN1; SMN2POLB
Potassium Ion SCHEMBL6232670 0.83 TSHR (0.53) TSHRFDFT1SMN1; SMN2POLB
SCHEMBL28538163 0.83 TSHR (0.53) TSHRFDFT1SMN1; SMN2POLB
SCHEMBL6229513 0.83 TSHR (0.53) TSHRFDFT1HDAC3HDAC4HDAC1
SCHEMBL4406117 0.77 S1PR2 (0.69) TSHRHDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112778511-B Catalyst composition for polyester production process 科莱恩塑料和涂料有限公司 2023-03-28 CN disclosed
CN-112778511-A Catalyst composition for polyester production process 科莱恩塑料和涂料有限公司 2021-05-11 CN disclosed
CN-107075097-B Catalyst composition for polyester production process 科莱恩塑料和涂料有限公司 2021-02-05 CN disclosed