SCHEMBL29464995

SCHEMBL29464995

CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 1/20 0.48
▸ DPP4 P27487 11/20 0.41
▸ FAP Q12884 3/20 0.41
▸ DPP8 Q6V1X1 3/20 0.41
▸ DPP9 Q86TI2 2/20 0.41
▸ DPP7 Q9UHL4 2/20 0.41
▸ PREP P48147 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ MMP2 P08253 1/20 0.38
▸ ACE P12821 1/20 0.37

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
SCHEMBL38659787 0.90 XIAP (0.51) XIAPDPP4FAPDPP8DPP9
SCHEMBL30051887 0.87 DPP4 (0.46) DPP4FAPDPP8DPP9DPP7
SCHEMBL20250609 0.84 XIAP (0.58) XIAPDPP4FAPDPP8DPP9
SCHEMBL30051223 0.84 XIAP (0.58) XIAPDPP4FAPDPP8DPP9
SCHEMBL30226106 0.84 DPP4 (0.42) XIAPDPP4FAPDPP8DPP9
SCHEMBL38658690 0.84 ACE (0.44) XIAPDPP4FAPDPP8DPP9
SCHEMBL30138994 0.83 XIAP (0.43) XIAPDPP4FAPDPP8DPP9
SCHEMBL30997469 0.82 XIAP (0.45) XIAPDPP4FAPPREP
SCHEMBL18639824 0.82 PREP (0.44) XIAPDPP4FAPPREPACE
SCHEMBL30853261 0.82 ACE (0.42) XIAPDPP4FAPPREPACE

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
CN-112876578-B Amphiphilic glucan derivative carrier targeting tumor-associated fibroblasts, and preparation and application of pharmaceutical composition of amphiphilic glucan derivative carrier 中国药科大学 2022-03-18 — — CN claimed
CN-112876578-B Amphiphilic glucan derivative carrier targeting tumor-associated fibroblasts, and preparation and application of pharmaceutical composition of amphiphilic glucan derivative carrier 中国药科大学 2022-03-18 — — CN disclosed
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