SCHEMBL28812447

SCHEMBL28812447

COc1ccc(COCC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 4/20 0.56
TNF P01375 3/20 0.55
MDM4 O15151 3/20 0.52
TP53 P04637 3/20 0.52
PPARA Q07869 2/20 0.49
ATM Q13315 1/20 0.49
PPARG P37231 1/20 0.48
TLR2 O60603 2/20 0.47
CASP3 P42574 1/20 0.47

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
SCHEMBL28812446 1.00 MDM2 (0.56) MDM2TNFMDM4TP53PPARA
SCHEMBL29802960 1.00 MDM2 (0.56) MDM2TNFMDM4TP53PPARA
SCHEMBL29398946 0.91 TNF (0.59) TNFMDM4TP53PPARAPPARG
SCHEMBL29401900 0.91 TNF (0.59) TNFMDM4TP53PPARAPPARG
SCHEMBL2589116 0.91 TNF (0.59) TNFMDM4TP53PPARAPPARG
SCHEMBL120685 0.91 TNF (0.59) TNFMDM4TP53PPARAPPARG
SCHEMBL3366333 0.91 TNF (0.59) TNFMDM4TP53PPARAPPARG
SCHEMBL30861891 0.91 TNF (0.59) TNFMDM4TP53PPARAPPARG
SCHEMBL31186620 0.91 TNF (0.59) TNFMDM4TP53PPARAPPARG
SCHEMBL2310132 0.88 MDM2 (0.60) MDM2TNFMDM4TP53CASP3

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-114736944-A Method for synthesizing alpha-dystrophin proteoglycan related glycopeptide by chemical enzyme method 山东大学深圳研究院 2022-07-12 CN disclosed