SCHEMBL4594416

SCHEMBL4594416

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.48
GSTK1 Q9Y2Q3 1/20 0.48
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
ADRA2A P08913 1/20 0.36
ADRA1A P35348 1/20 0.36
BLM P54132 2/20 0.35
MAPT P10636 1/20 0.35
BMP1 P13497 1/20 0.34
GLO1 Q04760 1/20 0.34
FOLH1 Q04609 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
CHRM2 P08172 3/20 0.33
CHRM4 P08173 3/20 0.33
CHRM5 P08912 3/20 0.33
CHRM1 P11229 3/20 0.33
CHRM3 P20309 3/20 0.33
ANPEP P15144 2/20 0.33

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
SCHEMBL10384752 0.86 PTGS1 (0.52) PTGS1GSTK1DPP4DPP8DPP9
SCHEMBL2534816 0.86 PTGS1 (0.65) PTGS1GSTK1ADRA2AADRA1AGLO1
SCHEMBL2530952 0.86 PTGS1 (0.65) PTGS1GSTK1ADRA2AADRA1AGLO1
Bromide SCHEMBL4250677 0.85 PTGS1 (0.64) PTGS1GSTK1ADRA2AADRA1AGLO1
SCHEMBL27922442 0.82 PTGS1 (0.55) PTGS1GSTK1DPP4DPP8DPP9
SCHEMBL30700928 0.81 PTGS1 (0.52) PTGS1GSTK1DPP4DPP8DPP9
SCHEMBL209654 0.80 PTGS1 (0.70) PTGS1GSTK1DPP4DPP8DPP9
SCHEMBL931787 0.80 PTGS1 (0.70) PTGS1GSTK1DPP4DPP8DPP9
SCHEMBL4594643 0.78 ADRA2A (0.44) ADRA2AADRA1ABLMMAPTCHRM2
Sulfuric Acid SCHEMBL3798433 0.78 PTGS1 (0.48) PTGS1GSTK1DPP4DPP8DPP9

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 5 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
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
EP-1691818-A4 COMPOUNDS FOR DELIVERING AMINO ACIDS OR PEPTIDES WITH ANTIOXIDANT ACTIVITY INTO MITOCHONDRIA AND USE THEREOF UNIV ROCHESTER (US) 2007-01-24 EP disclosed
EP-1691818-A2 COMPOUNDS FOR DELIVERING AMINO ACIDS OR PEPTIDES WITH ANTIOXIDANT ACTIVITY INTO MITOCHONDRIA AND USE THEREOF University of Rochester (US) 2006-08-23 EP disclosed
WO-2005051978-A2 COMPOUNDS FOR DELIVERING AMINO ACIDS OR PEPTIDES WITH ANTIOXIDANT ACTIVITY INTO MITOCHONDRIA AND USE THEREOF UNIVERSITY OF ROCHESTER (US) 2005-06-09 WO disclosed