SCHEMBL29576508

SCHEMBL29576508

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 4/20 0.47
▸ ACE P12821 2/20 0.47
▸ REN P00797 1/20 0.47
▸ CMA1 P23946 2/20 0.42
▸ NMUR2 Q9GZQ4 2/20 0.42
▸ CTSB P07858 1/20 0.42
▸ NTSR2 O95665 2/20 0.42
▸ NTSR1 P30989 2/20 0.42
▸ GRB2 P62993 1/20 0.42
▸ TGM2 P21980 1/20 0.41
▸ CALCRL Q16602 1/20 0.41
▸ ELANE P08246 1/20 0.41
▸ STAT3 P40763 1/20 0.40
▸ CTSD P07339 1/20 0.40
▸ CTSE P14091 1/20 0.40
▸ XIAP P98170 1/20 0.40
▸ DPP3 Q9NY33 1/20 0.40
▸ NMUR1 Q9HB89 1/20 0.40

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
SCHEMBL29575946 0.90 ACE (0.50) CAPN1ACERENCMA1CTSB
SCHEMBL32675731 0.88 CAPN1 (0.51) CAPN1ACERENNMUR2CTSB
SCHEMBL30069169 0.86 ACE (0.62) ACERENXIAP
SCHEMBL9614758 0.86 CAPN1 (0.57) CAPN1ACERENCTSBNTSR2
SCHEMBL9614754 0.86 CAPN1 (0.57) CAPN1ACERENCTSBNTSR2
SCHEMBL30311257 0.86 ACE (0.54) ACERENCMA1CALCRLELANE
SCHEMBL30311319 0.85 CMA1 (0.47) CAPN1ACERENCMA1CTSB
SCHEMBL32681296 0.85 CAPN1 (0.55) CAPN1ACERENCTSBGRB2
SCHEMBL30661445 0.84 ACE (0.47) CAPN1ACEREN
SCHEMBL30661449 0.84 ACE (0.47) CAPN1ACEREN

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-11312974-B2 Gene for increasing plant biomass and use therefor KANEKA CORPORATION (JP) 2022-04-26 — — US disclosed
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