SCHEMBL8890063

SCHEMBL8890063

CC(C)CC(C(N)=O)C(O)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
ANPEP P15144 6/20 0.36
DNPEP Q9ULA0 2/20 0.36
MMP2 P08253 5/20 0.36
MMP8 P22894 4/20 0.36
MMP9 P14780 3/20 0.36
MMP1 P03956 3/20 0.35
RNPEP Q9H4A4 3/20 0.34
CACNA2D1 P54289 2/20 0.34
CACNB3 P54284 1/20 0.34
CACNA1C Q13936 1/20 0.34
PGR P06401 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
CACNA2D2 Q9NY47 1/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34

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
SCHEMBL8872944 0.81 MMP2 (0.57) ANPEPDNPEPMMP2MMP8MMP9
SCHEMBL8872951 0.81 MMP2 (0.57) ANPEPDNPEPMMP2MMP8MMP9
SCHEMBL15980616 0.80 SLC1A3 (0.43) SLC7A5ALDH1A1TSHRMAPK1ANPEP
SCHEMBL15980617 0.80 SLC1A3 (0.43) SLC7A5ALDH1A1TSHRMAPK1ANPEP
SCHEMBL3686597 0.80 SLC1A3 (0.43) SLC7A5ALDH1A1TSHRMAPK1ANPEP
SCHEMBL11467290 0.76 ANPEP (0.53) SLC7A5ALDH1A1TSHRMAPK1ANPEP
SCHEMBL8871238 0.74 SLC7A5 (0.48) SLC7A5ALDH1A1ANPEPRNPEPCACNA2D1
SCHEMBL12015470 0.74 ACE (0.38) SLC7A5ALDH1A1TSHRMAPK1ANPEP
SCHEMBL664075 0.74 SLC7A5 (0.48) SLC7A5ALDH1A1ANPEPRNPEPCACNA2D1
Hydrochloric Acid SCHEMBL9515723 0.74 ANPEP (0.52) SLC7A5ALDH1A1TSHRMAPK1ANPEP

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
WO-1997003966-A1 N-(AMINO ACID) SUBSTITUTED SUCCINIC ACID AMIDE DERIVATIVES AS METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-02-06 WO claimed