SCHEMBL23059624

SCHEMBL23059624

CC(C)CC(C)ONC(=O)S

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 3/20 0.38
SLC7A5 Q01650 1/20 0.38
CACNA2D1 P54289 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CACNB3 P54284 1/20 0.33
CACNA1C Q13936 1/20 0.33
PGR P06401 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
CACNA2D2 Q9NY47 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
LAP3 P28838 3/20 0.33
ANPEP P15144 6/20 0.32
DNPEP Q9ULA0 2/20 0.32
ERAP1 Q9NZ08 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL22925097 0.79 ALDH1A1 (0.43) RNPEPSLC7A5CACNA2D1ALDH1A1CACNB3
SCHEMBL6717703 0.69 RNPEP (0.42) RNPEPSLC7A5CACNA2D1ALDH1A1CACNB3
SCHEMBL6720335 0.67
SCHEMBL6720334 0.65
SCHEMBL12214252 0.64 TAS1R3 (0.53)
Bromide SCHEMBL28031435 0.64 SLC7A5 (0.54) RNPEPSLC7A5SLC1A3SLC1A2LAP3
SCHEMBL4923058 0.64 ALDH1A1 (0.41) RNPEPSLC7A5ALDH1A1LAP3ANPEP
SCHEMBL1897992 0.64
SCHEMBL23777971 0.64
SCHEMBL4009819 0.64 CYP19A1 (0.48) RNPEPSLC7A5ALDH1A1LAP3ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210061979-A1 POLYMER, RESIN COMPOSITION, MOLDED ARTICLE, AND PRODUCTION METHOD FOR POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-03-04 US disclosed