SCHEMBL29133863

SCHEMBL29133863

O=S(=O)(O)CCN=Cc1ccc(O)c(O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.54
POLB P06746 5/20 0.50
BLM P54132 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
ALPL P05186 2/20 0.50
ALPI P09923 2/20 0.50
ALPG P10696 2/20 0.50
PTGS2 P35354 2/20 0.50
GFER P55789 1/20 0.50
PTGS1 P23219 1/20 0.50
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL29133860 1.00 CA2 (0.54) CA2POLBBLML3MBTL1ALPL
SCHEMBL29133838 0.83 SHBG (0.61) CA2POLBALPIALPGPTGS2
SCHEMBL29133836 0.83 SHBG (0.61) CA2POLBALPIALPGPTGS2
SCHEMBL29133855 0.81 CA2 (0.73) CA2L3MBTL1PTGS2GFERPTGS1
SCHEMBL29133859 0.81 CA2 (0.73) CA2L3MBTL1PTGS2GFERPTGS1
SCHEMBL29133840 0.79 CA2 (0.45) CA2POLBPTGS2KMT2AMAPT
SCHEMBL29133871 0.79 CA2 (0.45) CA2KDM4EMEN1KMT2AMAPT
SCHEMBL29133872 0.79 CA2 (0.45) CA2KDM4EMEN1KMT2AMAPT
SCHEMBL29133842 0.79 CA2 (0.45) CA2POLBPTGS2KMT2AMAPT
SCHEMBL4601969 0.78 POLB (0.59) POLBBLML3MBTL1ALPLALPI

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-116982622-A Taurine derivative plant growth regulator and application thereof 河南沐天农业科技有限公司 2023-11-03 CN claimed