SCHEMBL17813102

SCHEMBL17813102

NC(CCC(=O)O)C(=O)NC(CCC(=O)NCC(O)C(O)C(O)C(O)CO)C(=O)NC(C=O)CCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
GLO1 Q04760 1/20 0.32
BACE1 P56817 5/20 0.32
CTSC P53634 1/20 0.32
CTSD P07339 1/20 0.32
PTGS1 P23219 1/20 0.31
GSTK1 Q9Y2Q3 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
FOLH1 Q04609 1/20 0.30

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
SCHEMBL18136298 1.00 DPP4 (0.34) DPP4DPP8DPP9GLO1BACE1
SCHEMBL17813042 0.95 DPP4 (0.38) DPP4DPP8DPP9CTSCPTGS1
SCHEMBL23802494 0.86 DPP4 (0.39) DPP4DPP8DPP9GLO1BACE1
SCHEMBL16356867 0.86 BACE1 (0.30) BACE1
SCHEMBL22546322 0.84 DPP4 (0.37) DPP4DPP8DPP9GLO1BACE1
SCHEMBL18551941 0.82 DPP4 (0.48) DPP4DPP8DPP9BACE1CTSC
SCHEMBL19005183 0.82 DPP4 (0.48) DPP4DPP8DPP9BACE1CTSC
SCHEMBL17793245 0.82 DPP4 (0.48) DPP4DPP8DPP9BACE1CTSC
SCHEMBL18214518 0.82 FOLH1 (0.35) DPP4DPP8DPP9GLO1BACE1
SCHEMBL18214552 0.81 DPP4 (0.37) DPP4DPP8DPP9GLO1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016089879-A1 CONJUGATES OF GARFTASE INHIBITORS ENDOCYTE, INC. (US) 2016-06-09 WO disclosed