SCHEMBL5608101

SCHEMBL5608101

O=C(OCC1OCC(OC(=O)c2ccccc2)S1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.41
CHRNA5 P30532 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
NPC1 O15118 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
BCHE P06276 3/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40
PPM1B O75688 1/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL9067686 1.00 CHRNB2 (0.41) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL9067679 1.00 CHRNB2 (0.41) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL7639529 1.00 CHRNB2 (0.41) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL7639537 1.00 CHRNB2 (0.41) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL8524350 0.91 CHRNB2 (0.41) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL1087799 0.91 CHRNB2 (0.41) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL8470094 0.91 CHRNB2 (0.41) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL8524354 0.91 CHRNB2 (0.41) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL1087798 0.91 CHRNB2 (0.41) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL8470100 0.91 CHRNB2 (0.41) CHRNB2CHRNA5CHRNA7CHRNA4NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1473294-B1 Substituted 1,3-oxathiolanes with antiviral properties SHIRE BIOCHEM INC (CA) 2007-04-18 EP disclosed
EP-1473294-A2 Substituted 1,3-oxathiolanes with antiviral properties Shire Biochem Inc. (CA) 2004-11-03 EP disclosed
EP-1153924-B1 Substituted 1,3-oxathiolanes with antiviral properties SHIRE BIOCHEM INC (CA) 2004-09-01 EP disclosed
US-6369066-B1 HIV INFECTIONS BIOCHEM PHARMA, INC. (CA) 2002-04-09 US disclosed
EP-0756595-B1 SUBSTITUTED 1,3-OXATHIOLANES WITH ANTIVIRAL PROPERTIES SHIRE BIOCHEM INC (CA) 2002-03-06 EP disclosed
EP-1153924-A2 Substituted 1,3-oxathiolanes with antiviral properties BIOCHEM PHARMA INC (CA) 2001-11-14 EP disclosed
US-6228860-B1 ADMINISTERING TO TREAT HUMAN IMMUNODEFICIENCY OR HEPATITIS VIRUS INFECTIONS IN MAMMALS RESISTANT TO 3TC OR FTC BIOCHEM PHARMA INC. (CA) 2001-05-08 US disclosed
EP-0756595-A1 SUBSTITUTED 1,3-OXATHIOLANES WITH ANTIVIRAL PROPERTIES BIOCHEM PHARMA INC (CA) 1997-02-05 EP disclosed
US-5587480-A TREATING HIV AND HEPATITIS VIRUS INFECTIONS BIOCHEM PHARMA, INC. (CA) 1996-12-24 US disclosed
WO-1995029176-A1 SUBSTITUTED 1,3-OXATHIOLANES WITH ANTIVIRAL PROPERTIES BIOCHEM PHARMA INC. (CA) 1995-11-02 WO disclosed