SCHEMBL29133855

SCHEMBL29133855

O=S(=O)(O)CC/N=C/c1ccc(O)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.73
ALDH1A1 P00352 3/20 0.58
KMT2A Q03164 3/20 0.58
CA1 P00915 5/20 0.54
TAAR1 Q96RJ0 1/20 0.51
MAPT P10636 2/20 0.45
PTGS2 P35354 2/20 0.45
PTGS1 P23219 1/20 0.45
MEN1 O00255 2/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
GFER P55789 1/20 0.42
CA9 Q16790 2/20 0.41
CA7 P43166 1/20 0.41
ALDH5A1 P51649 1/20 0.38
ABAT P80404 1/20 0.38
CA12 O43570 1/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL29133859 1.00 CA2 (0.73) CA2ALDH1A1KMT2ACA1TAAR1
SCHEMBL29133829 0.84 CA2 (0.53) CA2ALDH1A1KMT2ACA1TAAR1
SCHEMBL29133832 0.84 CA2 (0.53) CA2ALDH1A1KMT2ACA1TAAR1
SCHEMBL29133860 0.81 CA2 (0.54) CA2ALDH1A1KMT2ACA1TAAR1
SCHEMBL29133863 0.81 CA2 (0.54) CA2ALDH1A1KMT2ACA1TAAR1
SCHEMBL29133831 0.80 CA2 (0.56) CA2ALDH1A1KMT2ACA1MAPT
SCHEMBL29133834 0.80 CA2 (0.56) CA2ALDH1A1KMT2ACA1MAPT
SCHEMBL29133878 0.79 CA2 (0.50) CA2ALDH1A1KMT2ACA1MAPT
SCHEMBL29133874 0.79 CA2 (0.50) CA2ALDH1A1KMT2ACA1MAPT
SCHEMBL29133872 0.77 CA2 (0.45) CA2ALDH1A1KMT2ACA1MAPT

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