SCHEMBL4466714

SCHEMBL4466714

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 4/20 0.41
FDPS P14324 1/20 0.41
HTT P42858 1/20 0.38
HSPA5 P11021 1/20 0.38
PGR P06401 1/20 0.38
AR P10275 1/20 0.38
NPC1 O15118 3/20 0.38
LMNA P02545 2/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 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
SCHEMBL4456240 1.00 NR3C1 (0.41) NR3C1FDPSHTTHSPA5PGR
SCHEMBL4455601 0.79 FDPS (0.46) NR3C1FDPSHTTHSPA5PGR
SCHEMBL4455593 0.79 FDPS (0.46) NR3C1FDPSHTTHSPA5PGR
SCHEMBL4469605 0.79 FDPS (0.46) NR3C1FDPSHTTHSPA5PGR
SCHEMBL10299127 0.73 HSPA5 (0.49) NR3C1FDPSHTTHSPA5NPC1
SCHEMBL4469745 0.73 ADORA1 (0.48) NPC1LMNAMEN1KMT2ARAB9A
SCHEMBL13124663 0.71 HSPA5 (0.47) NR3C1FDPSHSPA5NPC1LMNA
SCHEMBL288965 0.70 FDPS (0.53) NR3C1FDPSHTTHSPA5NPC1
SCHEMBL43586 0.70 FDPS (0.53) NR3C1FDPSHTTHSPA5NPC1
SCHEMBL43587 0.70 FDPS (0.53) NR3C1FDPSHTTHSPA5NPC1

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 2 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