SCHEMBL29593152

SCHEMBL29593152

CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.53
FOLH1 Q04609 4/20 0.49
TASP1 Q9H6P5 1/20 0.45
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
BACE1 P56817 7/20 0.43
BACE2 Q9Y5Z0 2/20 0.43
PTPN1 P18031 1/20 0.42
CTSD P07339 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
SCHEMBL5316452 0.92 BACE1 (0.49) MMEFOLH1TASP1GRIN2DGRIN3B
SCHEMBL5316454 0.92 BACE1 (0.49) MMEFOLH1TASP1GRIN2DGRIN3B
SCHEMBL29660983 0.92 GRIN2D (0.45) MMEFOLH1TASP1GRIN2DGRIN3B
SCHEMBL30381819 0.91 FOLH1 (0.56) MMEFOLH1GRIN2DGRIN3BGRIN1
SCHEMBL30296770 0.90 NMT1 (0.53) MMEFOLH1GRIN2DGRIN3BGRIN1
SCHEMBL29624868 0.89 MME (0.56) MMEFOLH1
SCHEMBL29531331 0.89 FOLH1 (0.61) MMEFOLH1
SCHEMBL29419017 0.89 FOLH1 (0.61) MMEFOLH1
SCHEMBL5310633 0.87 KEAP1 (0.46) MMETASP1GRIN2DGRIN3BGRIN1
SCHEMBL5310645 0.87 KEAP1 (0.46) MMETASP1GRIN2DGRIN3BGRIN1

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-113549143-B Anti-tumor polypeptide Bax-BH3, fluorescent polymer nano micelle and preparation method and application thereof 吉林大学 2022-05-27 CN disclosed