SCHEMBL28741489

SCHEMBL28741489

CC(C)(C)OC(=O)C(Cc1ccccn1)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 2/20 0.49
▸ TP53 P04637 2/20 0.49
▸ MDM2 Q00987 1/20 0.46
▸ HDAC1 Q13547 3/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC6 Q9UBN7 4/20 0.43
▸ CASP3 P42574 1/20 0.43

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
SCHEMBL28741516 0.91 MDM4 (0.48) MDM4TP53MDM2HDAC1HDAC2
SCHEMBL29633768 0.91 MDM4 (0.48) MDM4TP53MDM2HDAC1HDAC2
SCHEMBL7339224 0.88 PTPN1 (0.46) MDM4TP53MDM2HDAC1HDAC2
SCHEMBL7339216 0.88 PTPN1 (0.46) MDM4TP53MDM2HDAC1HDAC2
SCHEMBL31081052 0.88 MDM4 (0.49) MDM4TP53MDM2CASP3
SCHEMBL31694964 0.86 MDM4 (0.56) MDM4TP53MDM2HDAC1HDAC2
SCHEMBL3725839 0.86 MDM4 (0.56) MDM4TP53MDM2HDAC1HDAC2
SCHEMBL29401284 0.86 MDM4 (0.56) MDM4TP53MDM2HDAC1HDAC2
SCHEMBL29907962 0.86 MDM4 (0.56) MDM4TP53MDM2HDAC1HDAC2
SCHEMBL30069011 0.86 MDM4 (0.56) MDM4TP53MDM2HDAC1HDAC2

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-113692401-A Process for producing aromatic amino acid derivative 中外制药株式会社 2021-11-23 — — CN disclosed
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