SCHEMBL8070748

SCHEMBL8070748

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.51
DPP8 Q6V1X1 2/20 0.51
DPP9 Q86TI2 2/20 0.51
BACE1 P56817 4/20 0.47
CTSD P07339 2/20 0.47
PTGS1 P23219 1/20 0.45
GSTK1 Q9Y2Q3 1/20 0.45
ALOX15 P16050 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
KMT2A Q03164 1/20 0.45
ACE P12821 2/20 0.43
MME P08473 5/20 0.38
CPA1 P15085 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
NOD1 Q9Y239 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
PGGT1B P53609 1/20 0.36

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
SCHEMBL8070743 0.90 DPP4 (0.52) DPP4DPP8DPP9BACE1CTSD
SCHEMBL8070735 0.90 DPP4 (0.52) DPP4DPP8DPP9BACE1CTSD
SCHEMBL29630514 0.90 DPP4 (0.55) DPP4DPP8DPP9BACE1CTSD
SCHEMBL31721065 0.89 BACE1 (0.46) DPP4DPP8DPP9BACE1CTSD
SCHEMBL29420040 0.88 ALOX15 (0.50) DPP4DPP8DPP9BACE1CTSD
SCHEMBL3065655 0.88 DPP4 (0.63) DPP4DPP8DPP9BACE1CTSD
SCHEMBL751144 0.88 DPP4 (0.63) DPP4DPP8DPP9BACE1CTSD
SCHEMBL31571449 0.87 BACE1 (0.58) DPP4DPP8DPP9BACE1CTSD
SCHEMBL29777801 0.87 DPP4 (0.52) DPP4DPP8DPP9BACE1CTSD
SCHEMBL30193486 0.87 DPP4 (0.52) DPP4DPP8DPP9BACE1CTSD

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-1015603-A2 NEW PLANT GENES RHONE-POULENC AGRICULTURE LTD. (GB) 2000-07-05 EP disclosed
WO-1999014337-A2 NEW PLANT GENES RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-03-25 WO disclosed