SCHEMBL3907809

SCHEMBL3907809

Cc1ccc(O)cc1S(=O)(=O)N(CCO)CCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
SMN1; SMN2 Q16637 4/20 0.42
GAA P10253 3/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 3/20 0.39
HPGD P15428 2/20 0.39
TP53 P04637 3/20 0.39
HTT P42858 1/20 0.38
TSHR P16473 3/20 0.38
VCAM1 P19320 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 2/20 0.37
LMNA P02545 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HIF1A Q16665 1/20 0.36
MAPK1 P28482 2/20 0.36
NSD2 O96028 1/20 0.36
ESR1 P03372 1/20 0.36

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
SCHEMBL11334473 0.86 ESR2 (0.45) ALDH1A1SMN1; SMN2GAAPKMKMT2A
SCHEMBL9340848 0.83 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2PKMKMT2AHPGD
SCHEMBL9320536 0.83 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2GAAKMT2AHPGD
SCHEMBL9320539 0.83 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2GAAKMT2AHPGD
SCHEMBL9813093 0.79 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2GAAPKMKMT2A
SCHEMBL4955718 0.78 ESR1 (0.40) ALDH1A1SMN1; SMN2GAAPKMKMT2A
SCHEMBL15189709 0.78 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2GAAPKMKMT2A
SCHEMBL9683547 0.78 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2GAAKMT2AHPGD
SCHEMBL9811626 0.78 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2GAAPKMKMT2A
SCHEMBL9340792 0.78 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2GAAPKMNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1866320-B1 NITROGEN-CONTAINING BRIDGED DERIVATIVES OF 6H-DIBENZ(E,E)(1,2)-OXAPHOSPHORINE-6-OXIDES METHOD FOR PRODUCTION AND USE THEREOF AS FLAME-RETARDANT AGENTS SCHILL & SEILACHER STRUKTOL AG (DE) 2009-02-18 EP claimed
EP-1866320-A1 NITROGEN-CONTAINING BRIDGED DERIVATIVES OF 6H-DIBENZÝE,E¨Ý1,2¨-OXAPHOSPHORINE-6-OXIDES METHOD FOR PRODUCTION AND USE THEREOF AS FLAME-RETARDANT AGENTS Schill + Seilacher "Struktol" Aktiengesellschaft (DE) 2007-12-19 EP claimed
WO-2006084488-A1 NITROGEN-CONTAINING BRIDGED DERIVATIVES OF 6H-DIBENZ[E,E][1,2]-OXAPHOSPHORINE-6-OXIDES METHOD FOR PRODUCTION AND USE THEREOF AS FLAME-RETARDANT AGENTS SCHILL + SEILACHER 'STRUKTOL' AKTIENGESELLSCHAFT (DE) 2006-08-17 WO claimed
EP-1866320-B1 NITROGEN-CONTAINING BRIDGED DERIVATIVES OF 6H-DIBENZ(E,E)(1,2)-OXAPHOSPHORINE-6-OXIDES METHOD FOR PRODUCTION AND USE THEREOF AS FLAME-RETARDANT AGENTS SCHILL & SEILACHER STRUKTOL AG (DE) 2009-02-18 EP disclosed
EP-1866320-A1 NITROGEN-CONTAINING BRIDGED DERIVATIVES OF 6H-DIBENZÝE,E¨Ý1,2¨-OXAPHOSPHORINE-6-OXIDES METHOD FOR PRODUCTION AND USE THEREOF AS FLAME-RETARDANT AGENTS Schill + Seilacher "Struktol" Aktiengesellschaft (DE) 2007-12-19 EP disclosed
WO-2006084488-A1 NITROGEN-CONTAINING BRIDGED DERIVATIVES OF 6H-DIBENZ[E,E][1,2]-OXAPHOSPHORINE-6-OXIDES METHOD FOR PRODUCTION AND USE THEREOF AS FLAME-RETARDANT AGENTS SCHILL + SEILACHER 'STRUKTOL' AKTIENGESELLSCHAFT (DE) 2006-08-17 WO disclosed