SCHEMBL28312907

SCHEMBL28312907

COC(=O)[C@H](Cc1ccccc1C)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 2/20 0.47
TP53 P04637 2/20 0.47
CASP3 P42574 2/20 0.47
KMT2A Q03164 2/20 0.46
MDM2 Q00987 2/20 0.44
EPHX2 P34913 1/20 0.44

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
SCHEMBL30686144 0.91 MDM4 (0.54) MDM4TP53CASP3KMT2AMDM2
SCHEMBL119509 0.91 MDM4 (0.54) MDM4TP53CASP3KMT2AMDM2
SCHEMBL119506 0.91 MDM4 (0.54) MDM4TP53CASP3KMT2AMDM2
SCHEMBL29855673 0.91 MDM4 (0.54) MDM4TP53CASP3KMT2AMDM2
SCHEMBL3724266 0.91 MDM4 (0.54) MDM4TP53CASP3KMT2AMDM2
SCHEMBL30422046 0.91 MDM4 (0.54) MDM4TP53CASP3KMT2AMDM2
SCHEMBL29633683 0.89 MDM4 (0.48) MDM4TP53CASP3KMT2AMDM2
SCHEMBL17054257 0.88 FABP5 (0.48) MDM4TP53CASP3KMT2AMDM2
SCHEMBL2977877 0.85 ATM (0.53) MDM4TP53CASP3
SCHEMBL12531899 0.85 ATM (0.53) MDM4TP53CASP3

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-110156807-A The purposes of aspergillus flavus OUCMDZ-2205 secondary metabolite 嘉兴市爵拓科技有限公司 2019-08-23 CN claimed