SCHEMBL29133828

SCHEMBL29133828

COc1cc(/C=N\CCS(=O)(=O)O)cc(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.49
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 3/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HTT P42858 1/20 0.45
HTR1A P08908 1/20 0.45
HTR2C P28335 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
AMY1A P0DUB6 1/20 0.42
PSMB11 A5LHX3 1/20 0.42
PSMA7 O14818 1/20 0.42
PSMB1 P20618 1/20 0.42
PSMA1 P25786 1/20 0.42
PSMA2 P25787 1/20 0.42

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
SCHEMBL29133830 1.00 PTGS2 (0.49) PTGS2HPGDSMN1; SMN2GAAALDH1A1
SCHEMBL29133869 0.84 PTGS2 (0.51) PTGS2HPGDSMN1; SMN2GAAALDH1A1
SCHEMBL29133865 0.84 PTGS2 (0.51) PTGS2HPGDSMN1; SMN2GAAALDH1A1
SCHEMBL25322838 0.82 AMY1A (0.53) PTGS2HPGDSMN1; SMN2GAAALDH1A1
SCHEMBL29133889 0.82 CA2 (0.47) PTGS2GAAALDH1A1KDM4EMAPT
SCHEMBL29133885 0.82 CA2 (0.47) PTGS2GAAALDH1A1KDM4EMAPT
SCHEMBL29133838 0.82 SHBG (0.61) PTGS2HPGDSMN1; SMN2GAAALDH1A1
SCHEMBL29133836 0.82 SHBG (0.61) PTGS2HPGDSMN1; SMN2GAAALDH1A1
SCHEMBL29133845 0.78 CA2 (0.46) HPGDGAAALDH1A1KDM4EHTT
SCHEMBL29133848 0.78 CA2 (0.46) HPGDGAAALDH1A1KDM4EHTT

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 2 patents. 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
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 disclosed