SCHEMBL18257485

SCHEMBL18257485

CC(C)(C)OC(=O)CNC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ MDM2 Q00987 1/20 0.42
▸ BACE1 P56817 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CASP3 P42574 1/20 0.41
▸ SLC17A5 Q9NRA2 1/20 0.41

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
SCHEMBL17446680 0.92 MDM4 (0.47) MDM4TP53MDM2KMT2ACASP3
SCHEMBL30502990 0.90 KMT2A (0.47) MDM4TP53KMT2ACASP3SLC17A5
SCHEMBL30538853 0.90 MDM4 (0.54) MDM4TP53MDM2BACE1KMT2A
SCHEMBL5972648 0.90 MDM4 (0.54) MDM4TP53MDM2BACE1KMT2A
SCHEMBL9091221 0.90 KMT2A (0.49) MDM4TP53MDM2BACE1KMT2A
SCHEMBL17446822 0.88 PTPN1 (0.45) MDM4TP53KMT2A
SCHEMBL19177098 0.86 MDM4 (0.42) MDM4TP53MDM2KMT2ACASP3
SCHEMBL29579138 0.86 MDM4 (0.49) MDM4TP53KMT2ACASP3SLC17A5
SCHEMBL29579031 0.86 MDM4 (0.43) MDM4TP53MDM2BACE1KMT2A
SCHEMBL8695710 0.85 MDM4 (0.45) MDM4TP53KMT2ACASP3SLC17A5

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
WO-2016185200-A1 ANTIBACTERIAL AGENT OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2016-11-24 — — WO disclosed
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