SCHEMBL28512486

SCHEMBL28512486

O=C(O)c1ccc(-c2ccccc2[N+](=O)[O-])c(C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 12/20 0.56
CASP6 P55212 1/20 0.54
POLB P06746 1/20 0.52
LMNA P02545 2/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
TSHR P16473 2/20 0.50
HCAR3 P49019 1/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50

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
SCHEMBL6555682 0.88 POLB (0.59) EIF4ECASP6POLBLMNAMAPT
SCHEMBL3377807 0.88 CASP6 (0.54) EIF4ECASP6POLBLMNAMAPT
SCHEMBL6555690 0.88 POLB (0.59) EIF4ECASP6POLBLMNAMAPT
Hydrochloric Acid SCHEMBL9784149 0.88 CASP6 (0.62) CASP6POLBLMNATSHRHCAR3
SCHEMBL9186578 0.86 CASP6 (0.64) CASP6POLBLMNAMAPTHTT
SCHEMBL6650067 0.85 EIF4E (0.56) EIF4EMAPT
SCHEMBL4439669 0.84 TSHR (0.59) EIF4ELMNAMAPTHTTTSHR
SCHEMBL29120749 0.82 MAPT (0.57) EIF4ELMNAMAPTHTTTSHR
SCHEMBL11195885 0.80 CASP6 (0.75) CASP6LMNATSHRHCAR3
SCHEMBL29369532 0.80 FOLH1 (0.59) POLBTSHR

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-112225904-B Metal organic framework material based on V-type carboxylic acid ligand, preparation method and application 西安工程大学 2022-06-10 CN claimed
CN-112225904-A Metal organic framework material based on V-type carboxylic acid ligand, preparation method and application 西安工程大学 2021-01-15 CN claimed
CN-112225904-B Metal organic framework material based on V-type carboxylic acid ligand, preparation method and application 西安工程大学 2022-06-10 CN disclosed
CN-112225904-B Metal organic framework material based on V-type carboxylic acid ligand, preparation method and application 西安工程大学 2022-06-10 CN disclosed
CN-112225904-A Metal organic framework material based on V-type carboxylic acid ligand, preparation method and application 西安工程大学 2021-01-15 CN disclosed
CN-112225904-A Metal organic framework material based on V-type carboxylic acid ligand, preparation method and application 西安工程大学 2021-01-15 CN disclosed