SCHEMBL29497679

SCHEMBL29497679

CS(=O)(=O)Oc1ccc(OS(C)(=O)=O)c(CBr)c1CBr

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.35
ALPL P05186 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
PTPN1 P18031 1/20 0.33
PDE4B Q07343 1/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP7 P09237 1/20 0.31
MMP9 P14780 1/20 0.31
MMP14 P50281 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL20582849 1.00 KDM4E (0.39) KDM4EKMT2ACYP1A2ALPLTSHR
SCHEMBL29497738 0.91 KDM4E (0.34) KDM4EKMT2ACYP1A2ALPLTSHR
SCHEMBL20582955 0.91 KDM4E (0.34) KDM4EKMT2ACYP1A2ALPLTSHR
SCHEMBL20582880 0.89 KDM4E (0.33) KDM4EKMT2ACYP1A2ALPLTSHR
SCHEMBL29497711 0.89 KDM4E (0.33) KDM4EKMT2ACYP1A2ALPLTSHR
SCHEMBL20582941 0.89 KDM4E (0.33) KDM4EKMT2ACYP1A2ALPLTSHR
SCHEMBL29497730 0.89 KDM4E (0.33) KDM4EKMT2ACYP1A2ALPLTSHR
SCHEMBL20583007 0.89 KDM4E (0.33) KDM4EKMT2ACYP1A2ALPLTSHR
SCHEMBL29497741 0.89 KDM4E (0.33) KDM4EKMT2ACYP1A2ALPLTSHR
SCHEMBL20582858 0.86 PDE4B (0.32) KDM4EKMT2ACA1CA2CA9

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-114702411-A Method for producing 1, 2-benzenedimethanol compound 高文作物保护公司 2022-07-05 CN disclosed
CN-108602765-B Method for producing 1, 2-benzenedimethanol compound 高文有限公司 2022-05-03 CN disclosed