SCHEMBL4469605

SCHEMBL4469605

CC(C)(S)[C@H](Nc1nccs1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.46
NR3C1 P04150 4/20 0.46
HTT P42858 1/20 0.42
NPC1 O15118 2/20 0.42
HSPA5 P11021 1/20 0.41
PGR P06401 1/20 0.41
AR P10275 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
AURKA O14965 1/20 0.40
PIM1 P11309 1/20 0.40
CDK2 P24941 1/20 0.40
GSK3B P49841 1/20 0.40
ADORA2A P29274 1/20 0.40

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
SCHEMBL4455601 1.00 FDPS (0.46) FDPSNR3C1HTTNPC1HSPA5
SCHEMBL4455593 1.00 FDPS (0.46) FDPSNR3C1HTTNPC1HSPA5
SCHEMBL4456240 0.79 NR3C1 (0.41) FDPSNR3C1HTTNPC1HSPA5
SCHEMBL4466714 0.79 NR3C1 (0.41) FDPSNR3C1HTTNPC1HSPA5
SCHEMBL10299127 0.78 HSPA5 (0.49) FDPSNR3C1HTTNPC1HSPA5
SCHEMBL13124663 0.76 HSPA5 (0.47) FDPSNR3C1NPC1HSPA5MEN1
SCHEMBL43586 0.76 FDPS (0.53) FDPSNR3C1HTTNPC1HSPA5
SCHEMBL43587 0.76 FDPS (0.53) FDPSNR3C1HTTNPC1HSPA5
SCHEMBL288965 0.76 FDPS (0.53) FDPSNR3C1HTTNPC1HSPA5
SCHEMBL4453124 0.72 FDPS (0.49) FDPSNR3C1HTTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009151744-A1 S-NITROSOMERCAPTO COMPOUNDS AND RELATED DERIVATIVES GALLEON PHARMACEUTICALS, INC. (US) 2009-12-17 WO claimed
WO-2009151744-A1 S-NITROSOMERCAPTO COMPOUNDS AND RELATED DERIVATIVES GALLEON PHARMACEUTICALS, INC. (US) 2009-12-17 WO disclosed
WO-2009151744-A1 S-NITROSOMERCAPTO COMPOUNDS AND RELATED DERIVATIVES GALLEON PHARMACEUTICALS, INC. (US) 2009-12-17 WO disclosed