SCHEMBL16263234

SCHEMBL16263234

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.41
ECE1 P42892 2/20 0.38
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PARP1 P09874 1/20 0.36
PARP10 Q53GL7 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.35
GABRR1 P24046 2/20 0.34
CACNA2D1 P54289 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
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 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
SCHEMBL6814755 0.91 L3MBTL1 (0.35) MMP12ECE1LMNATDP1ALDH1A1
SCHEMBL3692336 0.88 MMP12 (0.47) MMP12LMNASMN1; SMN2SLC22A6GABRR1
Hydrochloric Acid SCHEMBL3698117 0.85 MMP12 (0.46) MMP12LMNASMN1; SMN2PARP1PARP10
SCHEMBL6540754 0.81
SCHEMBL13597717 0.79 LMNA (0.42) MMP12LMNASMN1; SMN2SLC22A6TDP1
SCHEMBL1618297 0.79
SCHEMBL12787257 0.79 LMNA (0.42) MMP12LMNASMN1; SMN2SLC22A6TDP1
SCHEMBL14633169 0.77 L3MBTL1 (0.32) ALDH1A1
SCHEMBL15382406 0.77 TSHR (0.41) MMP12LMNASMN1; SMN2SLC22A6TDP1
SCHEMBL3193802 0.77 TSHR (0.41) MMP12LMNASMN1; SMN2SLC22A6TDP1

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
US-9273333-B2 Process for the preparation of intermediates of HMG-CoA reductase inhibitors MYLAN LABORATORIES LTD (IN) 2016-03-01 US disclosed
US-20140349350-A1 Novel Process for the Preparation of Intermediates of HMG-CoA Reductase Inhibitors TIANISH LABORATORIES PRIVATE LIMITED (IN) 2014-11-27 US disclosed