SCHEMBL29406315

SCHEMBL29406315

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

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 1/20 0.53
▸ F2 P00734 3/20 0.45
▸ NTSR1 P30989 12/20 0.43
▸ NTSR2 O95665 11/20 0.43
▸ SORT1 Q99523 9/20 0.43
▸ BACE1 P56817 1/20 0.42
▸ POLB P06746 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
SCHEMBL30092566 0.85 NTSR1 (0.59) F2NTSR1NTSR2SORT1
SCHEMBL28290901 0.84 XIAP (0.59) XIAPNTSR1NTSR2SORT1
SCHEMBL30436677 0.83 NMUR2 (0.44) NTSR1NTSR2SORT1BACE1
SCHEMBL31233948 0.83 SLC6A2 (0.61) F2NTSR1NTSR2SORT1
SCHEMBL29733288 0.83 CALCRL (0.51) XIAPBACE1
SCHEMBL31126285 0.83 BACE1 (0.43) F2BACE1
SCHEMBL30444471 0.82 CTSD (0.46) XIAPF2BACE1
SCHEMBL29838219 0.82 GRB2 (0.46) F2POLB
SCHEMBL29641778 0.82 XIAP (0.47) XIAPNTSR1NTSR2SORT1
SCHEMBL30844353 0.82 CALCRL (0.46) XIAPF2BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114075556-B P450 enzyme capable of hydroxylating vitamins D3C-1 and C-25, gene, expression vector, recombinant bacterium and application thereof 江南大学 2023-08-04 — — CN disclosed
CN-116368152-A Down-regulation of membrane-bound proteins by receptor TAC technology 山东博安生物技术股份有限公司 2023-06-30 — — CN disclosed
CN-114605547-A Affinity entities with TCR-like antibody binding domains and uses thereof 阿迪塞特生物公司 2022-06-10 — — CN disclosed
CN-114437217-A Affinity entities with TCR-like antibody binding domains and uses thereof 阿迪塞特生物公司 2022-05-06 — — CN disclosed
CN-108025045-B Affinity entities for TCR-like antibody binding domains with high affinity and excellent specificity and uses thereof 阿迪塞特生物公司 2022-04-26 — — CN disclosed
CN-114075556-A P450 enzyme capable of hydroxylating vitamin D3C-1 and C-25, gene, expression vector, recombinant bacterium and application thereof 江南大学 2022-02-22 — — CN disclosed
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