SCHEMBL29024583

SCHEMBL29024583

O=C(O)C[C@H](NN1C(=O)C=CC1=O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.38
CASP3 P42574 1/20 0.38
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
CA2 P00918 4/20 0.36
CA4 P22748 1/20 0.36
CA1 P00915 2/20 0.36
PKLR P30613 1/20 0.35
PTGS1 P23219 4/20 0.33
PTGS2 P35354 4/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL31549503 0.83 TGFBR1 (0.37) MMEMAPTCA2CA1PKLR
SCHEMBL29631981 0.83 KDM4E (0.42) MMEMAPTCA2CA1PTGS2
SCHEMBL28197295 0.78 GAA (0.36) MMECASP3GAAMAPTCA2
SCHEMBL29024434 0.76 MME (0.49) MME
SCHEMBL8594034 0.76 MME (0.42) MMECA2PTGS1PTGS2
SCHEMBL29024437 0.76 KMT2A (0.43) CA2CA1
SCHEMBL1824031 0.75 FOLH1 (0.45) CA2CA1
SCHEMBL22311923 0.73 CA2 (0.46) MMECASP3GAAMAPTCA2
SCHEMBL5282044 0.72 CA2 (0.40) MMECASP3GAAMAPTCA2
SCHEMBL5282039 0.72 CA2 (0.40) MMECASP3GAAMAPTCA2

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-116323634-A Modification of protein oligomers forming nanopores 牛津纳米孔科技公开有限公司 2023-06-23 CN disclosed