SCHEMBL5401265

SCHEMBL5401265

O=S(=O)(O)CCCC1CC(c2ccccc2)=CCN1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.34
F2 P00734 1/20 0.33
HTR2C P28335 1/20 0.33
KMT2A Q03164 1/20 0.32

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
SCHEMBL9868832 0.79 SIGMAR1 (0.39) SIGMAR1F2HTR2C
SCHEMBL6648243 0.78 SIGMAR1 (0.36) SIGMAR1F2HTR2C
SCHEMBL10849078 0.77 ALDH1A1 (0.39) HTR2CKMT2A
SCHEMBL6648237 0.76 LMNA (0.41) SIGMAR1F2HTR2C
Hydrochloric Acid SCHEMBL6586236 0.76 HTR2C (0.41) SIGMAR1F2HTR2C
SCHEMBL10849506 0.75 MMP2 (0.37) KMT2A
SCHEMBL6648602 0.75 SIGMAR1 (0.36) SIGMAR1F2HTR2C
SCHEMBL9726241 0.74 ESR1 (0.42) KMT2A
SCHEMBL6368137 0.74 LMNA (0.39) SIGMAR1F2HTR2C
SCHEMBL10851305 0.74 ALDH1A1 (0.38) HTR2CKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007516939-A 2007-06-28 JP claimed
EP-1644325-A2 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES Neurochem (International) Limited (CH) 2006-04-12 EP claimed
WO-2004113275-A2 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2004-12-29 WO claimed
EP-1237547-A2 COMPOUNDS FOR INHIBITING DISEASES AND PREPARING CELLS FOR TRANSPLANTATION ISIS INNOVATION LIMITED (GB) 2002-09-11 EP claimed
WO-2001003680-A2 COMPOUNDS FOR INHIBITING DISEASES AND PREPARING CELLS FOR TRANSPLANTATION ISIS INNOVATION LIMITED (GB) 2001-01-18 WO claimed
EP-1646659-A2 IMPROVED PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF Neurochem (International) Limited (CH) 2006-04-19 EP disclosed
WO-2004113391-A2 IMPROVED PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2004-12-29 WO disclosed
EP-1237547-A2 COMPOUNDS FOR INHIBITING DISEASES AND PREPARING CELLS FOR TRANSPLANTATION ISIS INNOVATION LIMITED (GB) 2002-09-11 EP disclosed
WO-2001003680-A2 COMPOUNDS FOR INHIBITING DISEASES AND PREPARING CELLS FOR TRANSPLANTATION ISIS INNOVATION LIMITED (GB) 2001-01-18 WO disclosed