SCHEMBL24899400

SCHEMBL24899400

CC(C)(C)OC(=O)[C@H](Cc1cncc2ccccc12)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 2/20 0.46
TP53 P04637 2/20 0.46
MDM2 Q00987 1/20 0.43
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
SLC17A5 Q9NRA2 1/20 0.40
CASP3 P42574 1/20 0.40
TACR1 P25103 1/20 0.39

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
SCHEMBL30229631 1.00 MDM4 (0.46) MDM4TP53MDM2CTSSCTSK
SCHEMBL24899402 1.00 MDM4 (0.46) MDM4TP53MDM2CTSSCTSK
SCHEMBL29221368 0.88 MDM4 (0.52) MDM4TP53MDM2SLC17A5CASP3
SCHEMBL29221366 0.88 MDM4 (0.52) MDM4TP53MDM2SLC17A5CASP3
SCHEMBL24899359 0.85 MDM4 (0.46) MDM4TP53MDM2CTSSCTSK
SCHEMBL24899358 0.85 MDM4 (0.46) MDM4TP53MDM2CTSSCTSK
SCHEMBL30229501 0.85 MDM4 (0.46) MDM4TP53MDM2CTSSCTSK
SCHEMBL24915228 0.84 MDM4 (0.43) MDM4TP53MDM2CTSSCTSK
SCHEMBL24899401 0.82 MDM2 (0.47) MDM4TP53MDM2SLC17A5CASP3
SCHEMBL29529827 0.82 MDM4 (0.44) MDM4TP53MDM2CASP3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023192873-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-05 WO disclosed
WO-2023288213-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-01-19 WO disclosed