SCHEMBL32675731

SCHEMBL32675731

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 7/20 0.51
▸ CALCRL Q16602 4/20 0.45
▸ CTSB P07858 3/20 0.44
▸ KEAP1 Q14145 1/20 0.43
▸ F2R P25116 2/20 0.42
▸ EPHA2 P29317 1/20 0.42
▸ KDM1A O60341 2/20 0.42
▸ NMUR2 Q9GZQ4 1/20 0.42
▸ ACE P12821 2/20 0.41
▸ REN P00797 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ KDM5A P29375 1/20 0.41
▸ KDM1B Q8NB78 1/20 0.41

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
SCHEMBL29576508 0.88 CAPN1 (0.47) CAPN1CALCRLCTSBNMUR2ACE
SCHEMBL29575946 0.87 ACE (0.50) CAPN1CALCRLCTSBKEAP1ACE
SCHEMBL29680220 0.85 CAPN1 (0.51) CAPN1CALCRLCTSBKEAP1
SCHEMBL30525434 0.84 CALCRL (0.50) CAPN1CALCRLCTSBEPHA2REN
SCHEMBL30209474 0.84 CAPN1 (0.51) CAPN1CTSBF2RNMUR2ACE
SCHEMBL30067143 0.84 NTSR2 (0.51) REN
SCHEMBL30792488 0.84 ACE (0.49) CAPN1CALCRLACEREN
SCHEMBL30434139 0.84 ACE (0.54) F2RNMUR2ACEREN
SCHEMBL30150576 0.84 CALCRL (0.47) CAPN1CALCRLEPHA2
SCHEMBL30198364 0.83 KDM1A (0.48) CAPN1KEAP1KDM1ANMUR2ACE

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
EP-3626734-B1 POLYPEPTIDE FOR REGULATING ENERGY METABOLISM AND USES THEREOF SHENZHEN INST ADV TECH (CN) 2026-02-18 — — EP disclosed
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