SCHEMBL31412203

SCHEMBL31412203

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

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GRB2 P62993 1/20 0.46
▸ CAPN1 P07384 6/20 0.42
▸ CTSD P07339 1/20 0.42
▸ BACE1 P56817 1/20 0.42
▸ CXCL8 P10145 10/20 0.41
▸ CTSB P07858 1/20 0.41
▸ XIAP P98170 1/20 0.39
▸ CALCRL Q16602 1/20 0.39

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
SCHEMBL31741306 0.85 GRB2 (0.49) GRB2CAPN1CTSDBACE1XIAP
SCHEMBL29377895 0.83 GRB2 (0.50) GRB2CTSDBACE1XIAP
SCHEMBL29530605 0.82 XIAP (0.49) GRB2CAPN1CTSBXIAPCALCRL
SCHEMBL29547288 0.82 GRB2 (0.48) GRB2CAPN1CTSDBACE1CXCL8
SCHEMBL29546551 0.82 GRB2 (0.48) GRB2CAPN1CTSDBACE1CXCL8
SCHEMBL8054560 0.82 GRB2 (0.47) GRB2CAPN1CALCRL
SCHEMBL8054556 0.82 GRB2 (0.47) GRB2CAPN1CALCRL
SCHEMBL29679612 0.81 CAPN1 (0.46) CAPN1CTSBXIAPCALCRL
SCHEMBL30435342 0.81 OPRM1 (0.44) GRB2
SCHEMBL29974998 0.80 ACE (0.49) GRB2CTSDBACE1XIAPCALCRL

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-119220557-A Rice nitrogen efficient utilization gene OsNAC15, protein coded by same and application thereof 东北农业大学 2024-12-31 — — CN disclosed
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