SCHEMBL5318696

SCHEMBL5318696

CCCOC1CC(=O)NC1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
MAP3K14 Q99558 1/20 0.38
GAA P10253 2/20 0.37
CRBN Q96SW2 4/20 0.36
DDB1 Q16531 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
GLA P06280 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.32
CYP19A1 P11511 2/20 0.32

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
SCHEMBL28153842 0.87 NPC1 (0.48) NPC1MAP3K14CRBNDDB1MAPT
SCHEMBL27597851 0.86 NPC1 (0.47) NPC1CRBNDDB1MAPTLMNA
Methane SCHEMBL27666784 0.86 NPC1 (0.47) NPC1MAP3K14CRBNDDB1MAPT
SCHEMBL9510783 0.84 MAP3K14 (0.40) NPC1MAP3K14GAACRBNDDB1
Propane SCHEMBL11082339 0.82 MAP3K14 (0.39) NPC1MAP3K14GAACRBNDDB1
SCHEMBL27526109 0.82 NPC1 (0.50) NPC1GAACRBNDDB1MAPT
Propene SCHEMBL28153857 0.81 NPC1 (0.43) NPC1CRBNDDB1MAPTLMNA
Butane SCHEMBL11090167 0.78 NPC1 (0.41) NPC1MAP3K14GAACRBNDDB1
SCHEMBL707837 0.75 LMNA (0.42) NPC1MAP3K14MAPTLMNAPKM
Bicarbonate SCHEMBL28692652 0.74 PPARG (0.35) NPC1MAPTLMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115997016-A Composition comprising nucleic acid nanoparticles having modular functional groups 西克斯福德生物科学有限公司 2023-04-21 CN claimed
WO-2007078229-A1 KIT AND METHOD FOR MASS LABELLING GE HEALTHCARE BIO-SCIENCES AB (SE) 2007-07-12 WO claimed
WO-2006006924-A1 METHOD AND KIT FOR PEPTIDE ANALYSIS GE HEALTHCARE BIO-SCIENCES AB (SE) 2006-01-19 WO claimed
CN-115997016-A Composition comprising nucleic acid nanoparticles having modular functional groups 西克斯福德生物科学有限公司 2023-04-21 CN disclosed
WO-2006006924-A1 METHOD AND KIT FOR PEPTIDE ANALYSIS GE HEALTHCARE BIO-SCIENCES AB (SE) 2006-01-19 WO disclosed