SCHEMBL6010631

SCHEMBL6010631

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.49
DPP8 Q6V1X1 1/20 0.49
DPP9 Q86TI2 1/20 0.49
PTGS1 P23219 1/20 0.43
GSTK1 Q9Y2Q3 1/20 0.43
FOLH1 Q04609 1/20 0.42
BMP1 P13497 1/20 0.42
ANPEP P15144 3/20 0.41
ENPEP Q07075 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
GABRP O00591 2/20 0.40
GABRD O14764 2/20 0.40
GABRA1 P14867 2/20 0.40
GABRB1 P18505 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA5 P31644 2/20 0.40
GABRA3 P34903 2/20 0.40
GABRA2 P47869 2/20 0.40
GABRB2 P47870 2/20 0.40

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
SCHEMBL20587887 1.00 DPP4 (0.49) DPP4DPP8DPP9PTGS1GSTK1
SCHEMBL4400076 1.00 DPP4 (0.49) DPP4DPP8DPP9PTGS1GSTK1
SCHEMBL4400081 0.89 DPP4 (0.49) DPP4DPP8DPP9PTGS1GSTK1
SCHEMBL6010639 0.89 DPP4 (0.49) DPP4DPP8DPP9PTGS1GSTK1
SCHEMBL930492 0.85 CAD (0.42) PTGS1L3MBTL1NOD1KMT2APOLB
SCHEMBL8644441 0.85 CAD (0.42) PTGS1L3MBTL1NOD1KMT2APOLB
SCHEMBL10384752 0.84 PTGS1 (0.52) DPP4DPP8DPP9PTGS1GSTK1
SCHEMBL210006 0.82 FOLH1 (0.62) DPP4DPP8DPP9PTGS1GSTK1
SCHEMBL536354 0.82 FOLH1 (0.62) DPP4DPP8DPP9PTGS1GSTK1
SCHEMBL210315 0.82 FOLH1 (0.62) DPP4DPP8DPP9PTGS1GSTK1

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