SCHEMBL31019423

SCHEMBL31019423

CC(C)C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.53
▸ CTSB P07858 2/20 0.53
▸ DPP3 Q9NY33 5/20 0.52
▸ NTSR2 O95665 1/20 0.50
▸ NTSR1 P30989 1/20 0.50
▸ SORT1 Q99523 1/20 0.50
▸ OPRD1 P41143 1/20 0.48
▸ CXCR4 P61073 4/20 0.48
▸ PRMT1 Q99873 1/20 0.48
▸ GRPR P30550 2/20 0.47
▸ ERAP2 Q6P179 1/20 0.47
▸ F13A1 P00488 1/20 0.46
▸ TGM2 P21980 1/20 0.46
▸ PCSK9 Q8NBP7 1/20 0.46

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
SCHEMBL30608594 0.86 CAPN1 (0.54) CAPN1CTSBNTSR2NTSR1SORT1
SCHEMBL30788691 0.84 NTSR2 (0.55) CAPN1CTSBDPP3NTSR2NTSR1
SCHEMBL31670646 0.84 DPP3 (0.54) CAPN1CTSBDPP3NTSR2NTSR1
SCHEMBL31579553 0.84 NTSR2 (0.56) CAPN1CTSBDPP3NTSR2NTSR1
SCHEMBL30906342 0.84 CAPN1 (0.53) CAPN1CTSBOPRD1PRMT1
SCHEMBL31461898 0.84 OPRD1 (0.54) CAPN1CTSBDPP3OPRD1CXCR4
SCHEMBL30608599 0.84 GRPR (0.55) CAPN1CTSBCXCR4GRPR
SCHEMBL21985354 0.84 CAPN1 (0.54) CAPN1CTSBOPRD1CXCR4GRPR
SCHEMBL31058453 0.83 GLP1R (0.55) —
SCHEMBL31362650 0.83 CAPN1 (0.64) CAPN1CTSBDPP3NTSR2NTSR1

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-118440141-A Perilla seed cosmetic peptide with anti-aging activity and preparation method and application thereof 云南贝泰妮生物科技集团股份有限公司 2024-08-06 — — CN disclosed
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