SCHEMBL8470100

SCHEMBL8470100

CC(=O)O[C@@H]1CO[C@@H](COC(=O)c2ccccc2)S1

nearest known ligand 0.48

Predicted protein targets (top 14)

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
TSHR P16473 2/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.39
BCHE P06276 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PPM1B O75688 1/20 0.37

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
SCHEMBL8524350 1.00 CHRNB2 (0.41) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL8524354 1.00 CHRNB2 (0.41) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL8470094 1.00 CHRNB2 (0.41) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL1087799 1.00 CHRNB2 (0.41) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL1087798 1.00 CHRNB2 (0.41) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL5608101 0.91 CHRNB2 (0.41) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL9067679 0.91 CHRNB2 (0.41) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL7639529 0.91 CHRNB2 (0.41) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL9067686 0.91 CHRNB2 (0.41) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL7639537 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2960164-B2 1999-10-06 JP claimed
EP-0560794-B1 SUBSTITUTED 1,3-OXATHIOLANES WITH ANTIVIRAL PROPERTIES IAF BIOCHEM INT (CA) 1996-09-18 EP claimed
EP-0560794-A1 SUBSTITUTED 1,3-OXATHIOLANES AND SUBSTITUTED 1,3-DITHIOLANES WITH ANTIVIRAL PROPERTIES. IAF BIOCHEM INT (CA) 1993-09-22 EP claimed
WO-1992008717-A1 SUBSTITUTED 1,3-OXATHIOLANES AND SUBSTITUTED 1,3-DITHIOLANES WITH ANTIVIRAL PROPERTIES BIOCHEM PHARMA INC. (CA) 1992-05-29 WO claimed
US-5587480-A TREATING HIV AND HEPATITIS VIRUS INFECTIONS BIOCHEM PHARMA, INC. (CA) 1996-12-24 US disclosed
EP-0560794-B1 SUBSTITUTED 1,3-OXATHIOLANES WITH ANTIVIRAL PROPERTIES IAF BIOCHEM INT (CA) 1996-09-18 EP disclosed
EP-0560794-A1 SUBSTITUTED 1,3-OXATHIOLANES AND SUBSTITUTED 1,3-DITHIOLANES WITH ANTIVIRAL PROPERTIES. IAF BIOCHEM INT (CA) 1993-09-22 EP disclosed
WO-1992008717-A1 SUBSTITUTED 1,3-OXATHIOLANES AND SUBSTITUTED 1,3-DITHIOLANES WITH ANTIVIRAL PROPERTIES BIOCHEM PHARMA INC. (CA) 1992-05-29 WO disclosed