SCHEMBL4594643

SCHEMBL4594643

C[N+](C)(C)CCOC(=O)CNC(=O)[C@@H](N)CS

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.44
ADRA1A P35348 1/20 0.44
CHRM1 P11229 8/20 0.43
CHRM3 P20309 8/20 0.43
CHRM2 P08172 7/20 0.43
CHRM4 P08173 7/20 0.43
CHRM5 P08912 6/20 0.43
CHRNB2 P17787 4/20 0.43
CHRNA4 P43681 4/20 0.43
CHRNA7 P36544 3/20 0.43
CYP2C19 P33261 2/20 0.43
HTR1A P08908 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
BLM P54132 1/20 0.43
TSHR P16473 1/20 0.43
CYP2D6 P10635 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL672960 0.81 GAA (0.46) LMNAMAPTTSHRL3MBTL1SMN1; SMN2
SCHEMBL27697999 0.81 GAA (0.46) LMNAMAPTTSHRL3MBTL1SMN1; SMN2
SCHEMBL9780221 0.79 TET2 (0.44) TSHRGAAMMP2
SCHEMBL9780217 0.79 TET2 (0.44) TSHRGAAMMP2
SCHEMBL2530101 0.79 CHRM1 (0.53) ADRA2AADRA1ACHRM1CHRM3CHRM2
SCHEMBL4594416 0.78 PTGS1 (0.48) ADRA2AADRA1ACHRM1CHRM3CHRM2
SCHEMBL16804594 0.77 FNTA (0.40) MMP2
Hydrochloric Acid SCHEMBL2530302 0.77 CHRM1 (0.55) ADRA2AADRA1ACHRM1CHRM3CHRM2
Hydrochloric Acid SCHEMBL8135845 0.77 CHRM1 (0.52) ADRA2AADRA1ACHRM1CHRM3CHRM2
SCHEMBL2534816 0.77 PTGS1 (0.65) ADRA2AADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968650-A2 COMPOUNDS FOR DELIVERING AMINO ACIDS OR PEPTIDES WITH ANTIOXIDANT ACTIVITY INTO MITOCHONDRIA AND USE THEREOF University of Rochester (US) 2008-09-17 EP disclosed
EP-1965650-A2 COMPOSITIONS AND METHODS FOR ATTENUATING MITOCHONDRIA-MEDIATED CELL INJURY University of Rochester (US) 2008-09-10 EP disclosed
WO-2007076323-A2 COMPOUNDS FOR DELIVERING AMINO ACIDS OR PEPTIDES WITH ANTIOXIDANT ACTIVITY INTO MITOCHONDRIA AND USE THEREOF UNIVERSITY OF ROCHESTER (US) 2007-07-05 WO disclosed
WO-2007076322-A2 COMPOSITIONS AND METHODS FOR ATTENUATING MITOCHONDRIA-MEDIATED CELL INJURY UNIVERSITY OF ROCHESTER (US) 2007-07-05 WO disclosed