SCHEMBL31510128

SCHEMBL31510128

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

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 1/20 0.55
▸ CALCRL Q16602 5/20 0.48
▸ ENPEP Q07075 5/20 0.44
▸ SLC6A2 P23975 1/20 0.43
▸ NTSR2 O95665 5/20 0.43
▸ NTSR1 P30989 5/20 0.43
▸ SORT1 Q99523 3/20 0.43
▸ PTPN1 P18031 1/20 0.42
▸ RAMP1 O60894 1/20 0.42

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
SCHEMBL30603414 0.87 XIAP (0.52) XIAPNTSR2NTSR1SORT1
SCHEMBL31510129 0.87 XIAP (0.63) XIAPCALCRLSLC6A2NTSR2NTSR1
SCHEMBL30385729 0.86 NTSR2 (0.49) XIAPCALCRLNTSR2NTSR1SORT1
SCHEMBL30512533 0.86 NTSR1 (0.52) NTSR2NTSR1SORT1
SCHEMBL29733250 0.85 CALCRL (0.47) XIAPCALCRLSLC6A2
SCHEMBL29799173 0.84 CALCRL (0.49) XIAPCALCRLSLC6A2NTSR2NTSR1
SCHEMBL30753842 0.84 SLC6A2 (0.53) XIAPCALCRLSLC6A2RAMP1
SCHEMBL8937022 0.84 CAPN1 (0.49) XIAPCALCRLNTSR2NTSR1SORT1
SCHEMBL8937016 0.84 CAPN1 (0.49) XIAPCALCRLNTSR2NTSR1SORT1
SCHEMBL29590865 0.84 XIAP (0.50) XIAPCALCRLNTSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119552221-A Small molecule peptide composition for regulating natural bezoar production and method thereof 北京永慧互赢科技有限公司 2025-03-04 — — CN claimed
CN-119552221-A Small molecule peptide composition for regulating natural bezoar production and method thereof 北京永慧互赢科技有限公司 2025-03-04 — — CN disclosed
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