SCHEMBL30599190

SCHEMBL30599190

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

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRB2 P62993 1/20 0.54
▸ XIAP P98170 1/20 0.50
▸ NTSR2 O95665 5/20 0.45
▸ NTSR1 P30989 5/20 0.45
▸ SORT1 Q99523 3/20 0.45
▸ OPRM1 P35372 1/20 0.45
▸ ACE P12821 1/20 0.44
▸ DPP4 P27487 5/20 0.44
▸ FAP Q12884 2/20 0.44
▸ DPP8 Q6V1X1 2/20 0.44
▸ DPP9 Q86TI2 2/20 0.44
▸ DPP7 Q9UHL4 2/20 0.44
▸ CPB2 Q96IY4 1/20 0.44
▸ F2 P00734 1/20 0.44

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
SCHEMBL30599189 0.96 XIAP (0.53) GRB2XIAPNTSR2NTSR1SORT1
SCHEMBL30779719 0.86 XIAP (0.51) GRB2XIAPNTSR2NTSR1SORT1
SCHEMBL31114474 0.86 F2 (0.53) GRB2XIAPNTSR2NTSR1SORT1
SCHEMBL29531239 0.86 GRB2 (0.50) GRB2XIAPNTSR2NTSR1OPRM1
SCHEMBL29663741 0.85 ACE (0.51) GRB2XIAPNTSR2NTSR1SORT1
SCHEMBL31257010 0.84 XIAP (0.57) GRB2XIAPNTSR2NTSR1SORT1
SCHEMBL29352327 0.84 XIAP (0.55) GRB2XIAPACEDPP4FAP
SCHEMBL29870992 0.84 XIAP (0.55) GRB2XIAPACEDPP4FAP
SCHEMBL29573785 0.83 XIAP (0.54) GRB2XIAPNTSR2NTSR1SORT1
SCHEMBL29802048 0.83 GRB2 (0.52) GRB2XIAPNTSR2NTSR1SORT1

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
CN-116808170-A Application of goat milk protein source polypeptide IPPK in preparation of auxiliary blood sugar-reducing health-care product 江南大学 2023-09-29 — — CN disclosed
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