SCHEMBL6010639

SCHEMBL6010639

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.49
DPP8 Q6V1X1 2/20 0.49
DPP9 Q86TI2 2/20 0.49
CAD P27708 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 3/20 0.39
ALOX15 P16050 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
POLB P06746 1/20 0.38
NOD1 Q9Y239 3/20 0.37
PTGS1 P23219 1/20 0.37
GSTK1 Q9Y2Q3 1/20 0.37
CPB2 Q96IY4 1/20 0.36
ACE P12821 1/20 0.34
METAP2 P50579 3/20 0.34
METAP1 P53582 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
SCHEMBL4400081 1.00 DPP4 (0.49) DPP4DPP8DPP9CADL3MBTL1
SCHEMBL6010631 0.89 DPP4 (0.49) DPP4DPP8DPP9L3MBTL1KMT2A
SCHEMBL4400076 0.89 DPP4 (0.49) DPP4DPP8DPP9L3MBTL1KMT2A
SCHEMBL20587887 0.89 DPP4 (0.49) DPP4DPP8DPP9L3MBTL1KMT2A
SCHEMBL930492 0.85 CAD (0.42) CADL3MBTL1KMT2APOLBNOD1
SCHEMBL8644441 0.85 CAD (0.42) CADL3MBTL1KMT2APOLBNOD1
SCHEMBL15420943 0.80 ALOX15 (0.53) DPP4DPP8DPP9KMT2AALOX15
SCHEMBL5971076 0.80 ALOX15 (0.53) DPP4DPP8DPP9KMT2AALOX15
SCHEMBL210007 0.80 ALOX15 (0.53) DPP4DPP8DPP9KMT2AALOX15
SCHEMBL1217963 0.79 NOD1 (0.55) CADL3MBTL1KMT2APOLBNOD1

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
EP-1701732-A2 SULFHYDRYL PROTECTED GLUTATHIONE PRODRUG Nagasawa, Herbert T. (US) 2006-09-20 EP disclosed
WO-2005074903-A2 SULFHYDRYL PROTECTED GLUTATHIONE PRODRUG NAGASAWA HERBERT T (US) 2005-08-18 WO disclosed