SCHEMBL28773032

SCHEMBL28773032

CN(C)C(=O)C(CC(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1Cl)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ CASP3 P42574 4/20 0.41
▸ FABP7 O15540 1/20 0.38
▸ FABP5 Q01469 1/20 0.38
▸ MDM2 Q00987 1/20 0.37

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
SCHEMBL28773031 1.00 MDM4 (0.43) MDM4TP53CASP3FABP7FABP5
SCHEMBL31135301 1.00 MDM4 (0.43) MDM4TP53CASP3FABP7FABP5
SCHEMBL25657638 0.96 MDM2 (0.41) MDM4TP53CASP3MDM2
SCHEMBL24580391 0.91 MDM4 (0.38) MDM4TP53CASP3MDM2
SCHEMBL25658479 0.91 MDM4 (0.38) MDM4TP53CASP3MDM2
SCHEMBL25658486 0.91 MDM4 (0.38) MDM4TP53CASP3MDM2
SCHEMBL16289312 0.89 MDM4 (0.47) MDM4TP53CASP3FABP7FABP5
SCHEMBL28773107 0.87 CASP3 (0.44) MDM4TP53CASP3FABP7FABP5
SCHEMBL26666846 0.87 CASP3 (0.44) MDM4TP53CASP3FABP7FABP5
SCHEMBL26448318 0.85 TLR2 (0.39) MDM4TP53CASP3MDM2

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-114729006-A Cyclic peptide compounds having Kras inhibitory activity 中外制药株式会社 2022-07-08 — — CN disclosed
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