SCHEMBL27634010

SCHEMBL27634010

NS(=O)(=O)c1scc(-c2ccccc2O)c1S(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.39
DAPK1 P53355 1/20 0.39
STAT3 P40763 1/20 0.38
MAOA P21397 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MAOB P27338 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA2 P00918 3/20 0.34
RAB9A P51151 2/20 0.33
PTPN1 P18031 1/20 0.33
BCL2L1 Q07817 1/20 0.33

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
SCHEMBL7640481 0.75 HTR2B (0.47) HTR2BSTAT3MAOASMN1; SMN2ALDH1A1
SCHEMBL4163078 0.73 MAOA (0.43) DAPK1STAT3MAOASMN1; SMN2ALDH1A1
SCHEMBL251787 0.70 STAT3 (0.43) DAPK1STAT3MAOASMN1; SMN2ALDH1A1
SCHEMBL7865654 0.68 TRPA1 (0.41) DAPK1MAOASMN1; SMN2ALDH1A1HPGD
SCHEMBL28882144 0.67 STAT3 (0.56) STAT3ALDH1A1HPGDHSD17B10CA2
SCHEMBL29700277 0.67 PGAM1 (0.44) STAT3MAOASMN1; SMN2ALDH1A1HPGD
SCHEMBL6155652 0.67 PGAM1 (0.44) STAT3MAOASMN1; SMN2ALDH1A1HPGD
SCHEMBL9829248 0.67 CA2 (0.50) MAOASMN1; SMN2ALDH1A1MAPTTSHR
Hydroxyamine SCHEMBL28237907 0.65 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1HPGDHSD17B10LMNA
SCHEMBL30442890 0.65 ALDH1A1 (0.67) MAOASMN1; SMN2ALDH1A1HPGDHSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102883709-A Combinations of preservative compositions for ophthalmic formulations ALLERGAN INC 2013-01-16 CN disclosed
CN-102883708-A Combinations of preservatives for ophthalmic compositions ALLERGAN INC 2013-01-16 CN disclosed
CN-100528139-C Preserved ophthalmic compositions ALLERGAN INC (US) 2009-08-19 CN disclosed
CN-1794973-A preservative composition for eyes ALLERGAN INC (US) 2006-06-28 CN disclosed