SCHEMBL8892691

SCHEMBL8892691

O=C(O)[C@H](Cc1c[nH]cn1)N(C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
MDM4 O15151 2/20 0.38
TP53 P04637 2/20 0.38
FABP5 Q01469 3/20 0.38
FABP7 O15540 2/20 0.38
CASP3 P42574 2/20 0.37
EPHX2 P34913 1/20 0.36
MDM2 Q00987 4/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL22610140 0.93 MDM2 (0.38) KMT2AMDM4TP53FABP5FABP7
SCHEMBL2133987 0.93 MDM2 (0.38) KMT2AMDM4TP53FABP5FABP7
SCHEMBL28737117 0.90 KMT2A (0.37) KMT2AMDM4TP53FABP5FABP7
SCHEMBL16166754 0.90 KMT2A (0.37) KMT2AMDM4TP53FABP5FABP7
SCHEMBL8490053 0.88 KMT2A (0.39) KMT2AMDM4TP53FABP5FABP7
SCHEMBL23042936 0.86 MDM4 (0.37) KMT2AMDM4TP53FABP5FABP7
SCHEMBL29879964 0.86 MDM4 (0.37) KMT2AMDM4TP53FABP5FABP7
SCHEMBL7517501 0.86 MDM4 (0.37) KMT2AMDM4TP53FABP5FABP7
SCHEMBL29907979 0.82 MDM2 (0.38) KMT2AMDM4TP53CASP3MDM2
SCHEMBL28836306 0.82 MDM2 (0.38) KMT2AMDM4TP53CASP3MDM2

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
US-5670647-A Method for recovering optically pure amino acid derivatives SHIMADZU CORPORATION (JP) 1997-09-23 US disclosed