SCHEMBL31026619

SCHEMBL31026619

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

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 6/20 0.52
▸ STAT3 P40763 1/20 0.46
▸ CTSB P07858 1/20 0.45
▸ KEAP1 Q14145 3/20 0.44
▸ NMUR2 Q9GZQ4 1/20 0.44
▸ NTSR2 O95665 1/20 0.44
▸ NTSR1 P30989 1/20 0.44
▸ RAMP3 O60896 3/20 0.44
▸ CALCR P30988 3/20 0.44
▸ CALCRL Q16602 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ XIAP P98170 1/20 0.43
▸ F2 P00734 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
SCHEMBL31183007 0.94 CAPN1 (0.51) CAPN1STAT3CTSBKEAP1NMUR2
SCHEMBL29612067 0.92 CAPN1 (0.49) CAPN1NTSR2NTSR1
SCHEMBL30436990 0.90 NTSR1 (0.47) CAPN1NTSR2NTSR1XIAP
SCHEMBL31026621 0.88 CAPN1 (0.52) CAPN1STAT3CTSBNTSR2NTSR1
SCHEMBL31484229 0.87 CAPN1 (0.51) CAPN1STAT3CTSBNTSR2NTSR1
SCHEMBL31410876 0.87 CALCRL (0.49) CAPN1CTSBKEAP1NTSR2NTSR1
SCHEMBL31026618 0.87 NTSR1 (0.49) CAPN1NTSR2NTSR1CALCRL
SCHEMBL29611806 0.86 CAPN1 (0.51) CAPN1NMUR2NTSR2NTSR1
SCHEMBL29611351 0.86 CAPN1 (0.56) CAPN1STAT3CTSBNTSR2NTSR1
SCHEMBL30401355 0.86 CALCRL (0.52) CAPN1KEAP1NTSR2NTSR1RAMP3

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
WO-2024168411-A1 FOOD ADDITIVE AND/OR FOOD SUPPLEMENT, PRODUCTION METHOD, FORMULATION OF FUNCTIONAL FOOD AND/OR FOOD SUPPLEMENT, USE PROTEIMAX BIO TECHNOLOGY ISRAEL LTD (IL) 2024-08-22 — — WO disclosed
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