SCHEMBL24899401

SCHEMBL24899401

Cc1ccc2c(c1)-c1ccccc1C2COC(=O)N[C@@H](Cc1cncc2ccccc12)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 5/20 0.47
MDM4 O15151 3/20 0.45
TP53 P04637 3/20 0.45
SLC17A5 Q9NRA2 1/20 0.43
CASP3 P42574 2/20 0.41
TLR2 O60603 1/20 0.39
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
SCHEMBL29221366 0.92 MDM4 (0.52) MDM2MDM4TP53SLC17A5CASP3
SCHEMBL29221368 0.92 MDM4 (0.52) MDM2MDM4TP53SLC17A5CASP3
SCHEMBL24915228 0.84 MDM4 (0.43) MDM2MDM4TP53SLC17A5CASP3
SCHEMBL29547912 0.83 MDM4 (0.53) MDM2MDM4TP53SLC17A5CASP3
SCHEMBL29397967 0.83 MDM4 (0.53) MDM2MDM4TP53SLC17A5CASP3
SCHEMBL3725027 0.83 MDM4 (0.53) MDM2MDM4TP53SLC17A5CASP3
SCHEMBL800112 0.83 MDM4 (0.53) MDM2MDM4TP53SLC17A5CASP3
SCHEMBL29401862 0.83 MDM4 (0.53) MDM2MDM4TP53SLC17A5CASP3
SCHEMBL3725031 0.83 MDM4 (0.53) MDM2MDM4TP53SLC17A5CASP3
SCHEMBL24899402 0.82 MDM4 (0.46) MDM2MDM4TP53SLC17A5CASP3

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