SCHEMBL30817467

SCHEMBL30817467

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

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 8/20 0.61
▸ CTSB P07858 3/20 0.61
▸ GRB2 P62993 1/20 0.46
▸ SLC6A2 P23975 2/20 0.46
▸ XIAP P98170 1/20 0.44
▸ OPRM1 P35372 2/20 0.40
▸ DPP4 P27487 1/20 0.39
▸ PREP P48147 1/20 0.39
▸ DPP7 Q9UHL4 1/20 0.39
▸ ELANE P08246 1/20 0.39
▸ LNPEP Q9UIQ6 2/20 0.38
▸ DPP3 Q9NY33 1/20 0.38
▸ ANPEP P15144 1/20 0.38
▸ OPRD1 P41143 1/20 0.38

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
SCHEMBL32689777 0.89 CAPN1 (0.57) CAPN1CTSBGRB2SLC6A2XIAP
SCHEMBL30823590 0.86 XIAP (0.51) CAPN1CTSBGRB2SLC6A2XIAP
SCHEMBL30578363 0.85 CAPN1 (0.62) CAPN1CTSBGRB2SLC6A2XIAP
SCHEMBL14672865 0.85 CAPN1 (0.64) CAPN1CTSBGRB2OPRM1DPP4
SCHEMBL14728349 0.85 CAPN1 (0.57) CAPN1CTSBGRB2SLC6A2XIAP
SCHEMBL14682322 0.85 CAPN1 (0.64) CAPN1CTSBGRB2OPRM1DPP4
SCHEMBL14672864 0.85 CAPN1 (0.64) CAPN1CTSBGRB2OPRM1DPP4
SCHEMBL29630498 0.85 CAPN1 (0.51) CAPN1CTSBGRB2SLC6A2XIAP
SCHEMBL20958599 0.85 CAPN1 (0.64) CAPN1CTSBGRB2OPRM1DPP4
SCHEMBL30455247 0.84 CAPN1 (0.52) CAPN1CTSBGRB2SLC6A2XIAP

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
US-11965030-B2 Multispecific binding proteins with mutant fab domains SANOFI (FR) 2024-04-23 — — US disclosed
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