SCHEMBL24899350

SCHEMBL24899350

Cc1ccc2c(c1)-c1ccccc1C2COC(=O)N[C@@H](Cc1c(C)[nH]c2ccccc12)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 5/20 0.47
▸ MDM4 O15151 3/20 0.46
▸ TP53 P04637 3/20 0.46
▸ CASP3 P42574 3/20 0.44
▸ SLC17A5 Q9NRA2 1/20 0.42
▸ TLR2 O60603 2/20 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
SCHEMBL27749256 0.94 MDM4 (0.51) MDM2MDM4TP53CASP3SLC17A5
SCHEMBL850332 0.94 MDM4 (0.51) MDM2MDM4TP53CASP3SLC17A5
SCHEMBL18795729 0.94 MDM4 (0.51) MDM2MDM4TP53CASP3SLC17A5
SCHEMBL30229718 0.94 MDM4 (0.51) MDM2MDM4TP53CASP3SLC17A5
SCHEMBL30229529 0.94 MDM4 (0.51) MDM2MDM4TP53CASP3SLC17A5
SCHEMBL16100914 0.84 MDM4 (0.54) MDM2MDM4TP53CASP3SLC17A5
SCHEMBL16100911 0.84 MDM4 (0.54) MDM2MDM4TP53CASP3SLC17A5
SCHEMBL31671078 0.83 MDM4 (0.46) MDM2MDM4TP53CASP3
SCHEMBL850472 0.83 CASP3 (0.50) MDM2MDM4TP53CASP3SLC17A5
SCHEMBL16100971 0.81 MDM2 (0.49) MDM2MDM4TP53CASP3SLC17A5

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
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