SCHEMBL28879705

SCHEMBL28879705

O=C(O)C1C=CC=C(c2ccccc2)C1(C(=O)O)[N+](=O)[O-]

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL28879735 0.83 ALDH1A1 (0.40) MAPK1
SCHEMBL17262675 0.76 THRB (0.31)
SCHEMBL28667586 0.75 THRB (0.33)
SCHEMBL28677599 0.74 LMNA (0.33)
SCHEMBL11816444 0.73 LMNA (0.31)
SCHEMBL11222812 0.67 KCNA4 (0.33)
SCHEMBL529869 0.65 LMNA (0.40) MAPK1
SCHEMBL28639244 0.64
SCHEMBL27976531 0.64 THRB (0.34)
SCHEMBL9788216 0.63 HK2 (0.33) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109337065-B Soluble aminated rigid rod polymer and preparation method and composition thereof 浙江大学 2022-11-11 CN disclosed