SCHEMBL31163274

SCHEMBL31163274

O=C(O)c1ccccc1S[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.59
▸ CA12 O43570 2/20 0.52
▸ CA1 P00915 2/20 0.52
▸ CA2 P00918 2/20 0.52
▸ CA4 P22748 2/20 0.52
▸ CA7 P43166 2/20 0.52
▸ CA9 Q16790 2/20 0.52
▸ ALDH1A1 P00352 7/20 0.50
▸ MAPT P10636 5/20 0.50
▸ KDM4E B2RXH2 5/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ LMNA P02545 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ ALOX15 P16050 1/20 0.48
▸ GSTP1 P09211 1/20 0.47
▸ GSTM2 P28161 1/20 0.47

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
SCHEMBL2461047 1.00 POLB (0.59) POLBCA12CA1CA2CA4
SCHEMBL11554587 0.83 SIRT1 (0.53) POLBALDH1A1MAPTKDM4EMEN1
SCHEMBL10548910 0.79 CTSD (0.58) CA1CA2CA9ALDH1A1MAPT
SCHEMBL1336721 0.79 LMNA (0.42) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL2762223 0.79 MAPT (0.40) POLBCA12CA1CA2CA4
SCHEMBL3273024 0.77 CA12 (0.48) POLBCA12CA1CA2CA7
SCHEMBL2028311 0.75 SLC6A2 (0.68) POLBCA12CA1CA2CA4
SCHEMBL144989 0.74 POLB (1.00) POLBCA12CA1CA2CA4
SCHEMBL1482567 0.74 POLB (0.74) POLBCA12CA1CA2CA4
Phthalic Acid SCHEMBL16280460 0.74 ALDH1A1 (0.70) POLBCA12CA1CA2CA4

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-118766951-A Application of dendrobium polysaccharide in preparation of medicine for preventing and/or treating prostatic hyperplasia 中科众康(广东)生物科技研究院 2024-10-15 — — CN disclosed
Send feedback