SCHEMBL28917708

SCHEMBL28917708

O=[N+]([O-])c1cc(CO[PH](=O)OCc2ccc(O)c([N+](=O)[O-])c2)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ MAPK1 P28482 2/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ POLB P06746 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ GPR35 Q9HC97 1/20 0.49
▸ ALDH5A1 P51649 1/20 0.45
▸ ABAT P80404 1/20 0.45
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ DBH P09172 1/20 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
SCHEMBL28917710 0.89 MAPT (0.55) MAPTNPSR1MAPK1L3MBTL1ALOX15
SCHEMBL28917367 0.88 GPR35 (0.49) MAPTNPSR1MAPK1L3MBTL1ALOX15
SCHEMBL1736274 0.81 POLB (0.52) MAPTNPSR1MAPK1L3MBTL1ALOX15
SCHEMBL30477507 0.78 SNCA (0.62) MAPTNPSR1MAPK1L3MBTL1ALOX15
SCHEMBL11002820 0.78 MAPK1 (0.60) MAPTNPSR1MAPK1L3MBTL1ALOX15
SCHEMBL69585 0.78 SNCA (0.62) MAPTNPSR1MAPK1L3MBTL1ALOX15
SCHEMBL28917368 0.77 GPR35 (0.47) MAPTNPSR1MAPK1L3MBTL1ALOX15
SCHEMBL1735030 0.77 POLB (0.49) MAPTNPSR1MAPK1L3MBTL1ALOX15
SCHEMBL2772403 0.77 ALDH5A1 (0.59) MAPTNPSR1MAPK1L3MBTL1ALOX15
SCHEMBL1736272 0.76 POLB (0.62) MAPTNPSR1MAPK1L3MBTL1ALOX15

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-115485259-A Substituted hydroxystilbene compounds and derivatives, synthesis and use thereof 凯楠公爵IP有限责任公司 2022-12-16 — — CN disclosed
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