SCHEMBL30239244

SCHEMBL30239244

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

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.49
GSR P00390 1/20 0.49
CPB2 Q96IY4 5/20 0.44
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
SLC15A2 Q16348 1/20 0.42
MMP2 P08253 1/20 0.41
ACE P12821 1/20 0.41

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
SCHEMBL30671932 0.99 GSR (0.50) FOLH1GSRCPB2DPP8DPP9
SCHEMBL29706366 0.96 GSR (0.50) FOLH1GSRCPB2DPP8DPP9
SCHEMBL30361562 0.94 FOLH1 (0.47) FOLH1GSRCPB2DPP8DPP9
SCHEMBL30705346 0.94 FOLH1 (0.49) FOLH1GSRCPB2SLC15A2ACE
SCHEMBL16770238 0.94 GSR (0.51) FOLH1GSRCPB2DPP8DPP9
SCHEMBL29963837 0.94 GSR (0.51) FOLH1GSRCPB2DPP8DPP9
SCHEMBL29963691 0.93 FOLH1 (0.50) FOLH1GSRCPB2SLC15A2ACE
SCHEMBL31665994 0.93 GSR (0.56) FOLH1GSRCPB2DPP8DPP9
SCHEMBL31666029 0.93 GSR (0.56) FOLH1GSRCPB2DPP8DPP9
SCHEMBL14490697 0.93 GSR (0.56) FOLH1GSRCPB2DPP8DPP9

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-2023004364-A2 SELF-ASSEMBLING NANOMATERIAL FOR THE DETECTION, IMAGING, OR TREATMENT OF CANCER OREGON HEALTH & SCIENCE UNIVERSITY (US) 2023-01-26 WO disclosed