SCHEMBL30284980

SCHEMBL30284980

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 4/20 0.46
▸ XIAP P98170 2/20 0.45
▸ MLX Q9UH92 1/20 0.45
▸ CAPN1 P07384 4/20 0.44
▸ SLC6A2 P23975 1/20 0.43
▸ CTSB P07858 1/20 0.42
▸ DPP3 Q9NY33 2/20 0.42
▸ RAMP1 O60894 1/20 0.42
▸ REN P00797 1/20 0.40
▸ CMA1 P23946 1/20 0.40
▸ GRB2 P62993 1/20 0.40

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
SCHEMBL31031622 0.91 CALCRL (0.47) CALCRLXIAPMLXCAPN1SLC6A2
SCHEMBL30674926 0.90 XIAP (0.47) XIAPMLXCAPN1CTSBDPP3
SCHEMBL29695544 0.88 CALCRL (0.58) CALCRLSLC6A2DPP3RAMP1REN
SCHEMBL30432749 0.87 CAPN1 (0.51) CALCRLXIAPMLXCAPN1SLC6A2
SCHEMBL30518982 0.86 CAPN1 (0.53) CALCRLXIAPCAPN1CTSBRAMP1
SCHEMBL29630498 0.85 CAPN1 (0.51) XIAPCAPN1SLC6A2CTSBDPP3
SCHEMBL29423396 0.85 ACE (0.43) CALCRLXIAPMLXREN
SCHEMBL31124672 0.85 SLC6A2 (0.60) CALCRLSLC6A2DPP3RAMP1REN
SCHEMBL29630809 0.85 CAPN1 (0.45) XIAPMLXCAPN1SLC6A2CTSB
SCHEMBL29591830 0.83 CAPN1 (0.47) CALCRLXIAPMLXCAPN1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109476732-B Trispecific and/or trivalent binding proteins 赛诺菲 2024-03-22 — — CN disclosed
CN-117069855-A Trispecific and/or trivalent binding proteins for the prevention or treatment of HIV infection 赛诺菲 2023-11-17 — — CN disclosed
CN-116789841-A Trispecific and/or trivalent binding proteins for the prevention or treatment of HIV infection 赛诺菲 2023-09-22 — — CN disclosed
CN-116675776-A Trispecific and/or trivalent binding proteins for the prevention or treatment of HIV infection 赛诺菲 2023-09-01 — — CN disclosed
CN-109311966-B Trispecific and/or trivalent binding proteins for use in the prevention or treatment of HIV infection 赛诺菲 2023-03-10 — — CN disclosed
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