SCHEMBL4453282

SCHEMBL4453282

CC(=O)SCCC(Nc1nc2ccccc2o1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
GAA P10253 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SCD O00767 1/20 0.42
PCSK9 Q8NBP7 1/20 0.41
ELANE P08246 7/20 0.41
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CSNK1D P48730 1/20 0.40
CTSS P25774 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSP90AA1 P07900 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
SCHEMBL4453327 0.89 ELANE (0.49) NPC1RAB9AGAASMN1; SMN2TP53
SCHEMBL4453330 0.89 ELANE (0.49) NPC1RAB9AGAASMN1; SMN2TP53
SCHEMBL4558354 0.84 CTSS (0.45) ALDH1A1MEN1KMT2ANPSR1CTSS
SCHEMBL4457207 0.84 ELANE (0.52) NPC1RAB9AGAASMN1; SMN2TP53
SCHEMBL13408965 0.82 NPC1 (0.48) NPC1RAB9AGAASMN1; SMN2TP53
SCHEMBL4464835 0.82 NPC1 (0.49) NPC1RAB9AGAASMN1; SMN2TP53
SCHEMBL4468163 0.82 NPC1 (0.49) NPC1RAB9AGAASMN1; SMN2TP53
SCHEMBL4464723 0.81 NPC1 (0.52) NPC1RAB9AGAASMN1; SMN2TP53
SCHEMBL7682517 0.80 NPC1 (0.51) NPC1RAB9AGAASMN1; SMN2TP53
SCHEMBL7682513 0.80 NPC1 (0.51) NPC1RAB9AGAASMN1; SMN2TP53

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