SCHEMBL24915228

SCHEMBL24915228

CC(C)(CCc1ccc2c(c1)-c1ccccc1C2COC(=O)N[C@@H](Cc1cncc2ccccc12)C(=O)O)OC(=O)[C@H](Cc1cncc2ccccc12)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 3/20 0.43
TP53 P04637 3/20 0.43
SLC17A5 Q9NRA2 1/20 0.39
MDM2 Q00987 4/20 0.38
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
PTPN1 P18031 2/20 0.37
TNF P01375 1/20 0.36
PDE10A Q9Y233 1/20 0.36
CASP3 P42574 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36

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
SCHEMBL24915053 0.86 MDM4 (0.43) MDM4TP53SLC17A5MDM2PTPN1
SCHEMBL29221366 0.84 MDM4 (0.52) MDM4TP53SLC17A5MDM2CASP3
SCHEMBL29221368 0.84 MDM4 (0.52) MDM4TP53SLC17A5MDM2CASP3
SCHEMBL24899401 0.84 MDM2 (0.47) MDM4TP53SLC17A5MDM2CASP3
SCHEMBL24899402 0.84 MDM4 (0.46) MDM4TP53SLC17A5MDM2CASP3
SCHEMBL30229631 0.84 MDM4 (0.46) MDM4TP53SLC17A5MDM2CASP3
SCHEMBL24899400 0.84 MDM4 (0.46) MDM4TP53SLC17A5MDM2CASP3
SCHEMBL24915788 0.83 MDM4 (0.43) MDM4TP53SLC17A5MDM2PTPN1
SCHEMBL800112 0.77 MDM4 (0.53) MDM4TP53SLC17A5MDM2CASP3
SCHEMBL3725031 0.77 MDM4 (0.53) MDM4TP53SLC17A5MDM2CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023225661-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-23 WO disclosed
WO-2023102507-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-06-08 WO disclosed
WO-2023004240-A1 MACROCYLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-01-26 WO disclosed