SCHEMBL28306730

SCHEMBL28306730

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

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 3/20 0.54
▸ TP53 P04637 3/20 0.54
▸ CASP3 P42574 2/20 0.52
▸ TLR2 O60603 2/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ MDM2 Q00987 6/20 0.51

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
SCHEMBL22626932 0.93 TLR2 (0.54) MDM4TP53CASP3TLR2KMT2A
SCHEMBL29400739 0.93 TLR2 (0.54) MDM4TP53CASP3TLR2KMT2A
SCHEMBL31591664 0.88 MDM4 (0.56) MDM4TP53CASP3TLR2KMT2A
SCHEMBL8249262 0.88 MDM4 (0.56) MDM4TP53CASP3TLR2KMT2A
SCHEMBL29528781 0.87 KMT2A (0.60) MDM4TP53CASP3TLR2KMT2A
SCHEMBL29401303 0.87 KMT2A (0.60) MDM4TP53CASP3TLR2KMT2A
SCHEMBL12517004 0.87 MDM4 (0.57) MDM4TP53CASP3TLR2KMT2A
SCHEMBL178804 0.87 KMT2A (0.60) MDM4TP53CASP3TLR2KMT2A
SCHEMBL178805 0.87 KMT2A (0.60) MDM4TP53CASP3TLR2KMT2A
SCHEMBL3487948 0.87 KMT2A (0.60) MDM4TP53CASP3TLR2KMT2A

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-109912577-A For inhibiting the compound and its preparation method and application of Epstein-Barr virus related neoplasms 深圳先进技术研究院 2019-06-21 — — CN claimed
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