SCHEMBL30745229

SCHEMBL30745229

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 4/20 0.49
▸ CTSB P07858 1/20 0.49
▸ XIAP P98170 2/20 0.48
▸ SLC6A2 P23975 1/20 0.47
▸ KMT2A Q03164 1/20 0.45
▸ DPP3 Q9NY33 2/20 0.44
▸ MLX Q9UH92 1/20 0.44
▸ ELANE P08246 1/20 0.44
▸ REN P00797 1/20 0.44
▸ CMA1 P23946 2/20 0.43
▸ NTSR2 O95665 4/20 0.43
▸ NTSR1 P30989 4/20 0.43
▸ SORT1 Q99523 3/20 0.43
▸ GRB2 P62993 1/20 0.43

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
SCHEMBL30422499 0.90 XIAP (0.55) XIAPKMT2ARENNTSR2NTSR1
SCHEMBL30422893 0.87 CAPN1 (0.53) CAPN1CTSBXIAPSLC6A2KMT2A
Diprotin B SCHEMBL3125140 0.85 GRB2 (0.51) CAPN1CTSBXIAPKMT2ADPP3
Diprotin B SCHEMBL27809545 0.85 GRB2 (0.51) CAPN1CTSBXIAPKMT2ADPP3
Diprotin B SCHEMBL3125137 0.85 GRB2 (0.51) CAPN1CTSBXIAPKMT2ADPP3
SCHEMBL29446924 0.85 XIAP (0.53) XIAPSLC6A2DPP3MLXELANE
SCHEMBL30974609 0.85 CAPN1 (0.50) CAPN1CTSBXIAPSLC6A2KMT2A
SCHEMBL31257055 0.85 CAPN1 (0.56) CAPN1CTSBXIAPSLC6A2KMT2A
SCHEMBL30401176 0.85 SLC6A2 (0.49) CAPN1XIAPSLC6A2RENCMA1
SCHEMBL29866553 0.85 XIAP (0.52) CAPN1CTSBXIAPSLC6A2MLX

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-117510583-A Testicular interstitial cell protective peptide and application thereof 广东省几何细胞生物科技有限公司 2024-02-06 — — CN disclosed
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