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SCHEMBL24899417

SCHEMBL24899417

Cc1ccc(C)c(CC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)OC(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 2/20 0.45
▸ TP53 P04637 2/20 0.45
▸ MDM2 Q00987 2/20 0.44
▸ MAPT P10636 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CASP3 P42574 1/20 0.41
▸ SLC17A5 Q9NRA2 1/20 0.41
▸ EPHX2 P34913 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
SCHEMBL30229391 1.00 MDM4 (0.45) MDM4TP53MDM2MAPTSMN1; SMN2
SCHEMBL29221359 0.91 MDM4 (0.44) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL30229941 0.91 MDM4 (0.44) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL29633683 0.90 MDM4 (0.48) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL24899356 0.90 TACR1 (0.45) MDM4TP53MDM2MAPTSMN1; SMN2
SCHEMBL30229467 0.90 TACR1 (0.45) MDM4TP53MDM2MAPTSMN1; SMN2
SCHEMBL29221390 0.88 MDM2 (0.52) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL30229498 0.88 MDM2 (0.52) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL31210294 0.88 MDM2 (0.52) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL25658030 0.88 MDM2 (0.52) MDM4TP53MDM2CASP3SLC17A5

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-2023288213-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-01-19 — — WO disclosed