SCHEMBL7624329

SCHEMBL7624329

CC(C)C[C@@H](C(N)=O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.54
RNPEP Q9H4A4 1/20 0.48
SLC1A3 P43003 3/20 0.46
SLC1A2 P43004 3/20 0.46
CACNA2D1 P54289 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CACNB3 P54284 1/20 0.41
CACNA1C Q13936 1/20 0.41
PGR P06401 1/20 0.41
ADRA1A P35348 1/20 0.41
HTR2B P41595 1/20 0.41
CACNA2D2 Q9NY47 1/20 0.41
MME P08473 1/20 0.39
CPA1 P15085 2/20 0.39
SLC1A1 P43005 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
ANPEP P15144 1/20 0.38
LAP3 P28838 1/20 0.38

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
SCHEMBL6897228 1.00 SLC7A5 (0.54) SLC7A5RNPEPSLC1A3SLC1A2CACNA2D1
SCHEMBL14859907 0.89 SLC7A5 (0.46) SLC7A5RNPEPSLC1A3SLC1A2CACNA2D1
Hydroxyamine SCHEMBL20817080 0.83 SLC7A5 (0.59) SLC7A5RNPEPSLC1A3SLC1A2CACNA2D1
SCHEMBL1200181 0.83 RNPEP (0.57) SLC7A5RNPEPSLC1A3SLC1A2CACNA2D1
SCHEMBL28071461 0.82 SLC7A5 (0.41) SLC7A5RNPEPSLC1A3SLC1A2CACNA2D1
SCHEMBL6896640 0.80 SLC7A5 (0.50) SLC7A5RNPEPSLC1A3SLC1A2CACNA2D1
SCHEMBL28745057 0.80 SLC7A5 (0.67) SLC7A5RNPEPSLC1A3SLC1A2SLC1A1
SCHEMBL25381978 0.77 MMP8 (0.50)
SCHEMBL6826049 0.77 MMP3 (0.46) SLC7A5RNPEPSLC1A3SLC1A2CACNA2D1
SCHEMBL6896224 0.77 MME (0.50) SLC7A5MME

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
EP-0444482-B1 Oxetanones HOFFMANN LA ROCHE (CH) 1996-01-17 EP claimed
CN-117783357-A Method for detecting potential genotoxic impurity 2-halogenated alkyl acid in drug starting material by GC-MS 上海博悦生物科技有限公司 2024-03-29 CN disclosed
CN-115105476-B Orlistat freeze-dried oral preparation and preparation process thereof 山东新时代药业有限公司 2023-11-14 CN disclosed
CN-114555061-B Oligostat capsule and preparation method thereof 山东新时代药业有限公司 2023-08-15 CN disclosed
CN-115105476-A Orlistat freeze-dried oral preparation and preparation process thereof 山东新时代药业有限公司 2022-09-27 CN disclosed
CN-103415286-A Compounds and methods for treating pain AKRON MOLECULES GMBH 2013-11-27 CN disclosed
EP-1189638-A2 PHARMACEUTICAL COMPOSITION CONTAINING SIBUTRAMINE AND A LIPASE INHIBITOR KNOLL AKTIENGESELLSCHAFT (DE) 2002-03-27 EP disclosed
WO-2001000187-A2 PHARMACEUTICAL COMPOSITION CONTAINING SIBUTRAMINE AND A LIPASE INHIBITOR KNOLL AKTIENGESELLSCHAFT (DE) 2001-01-04 WO disclosed