SCHEMBL30229718

SCHEMBL30229718

Cc1[nH]c2ccccc2c1CC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 3/20 0.51
▸ TP53 P04637 3/20 0.51
▸ CASP3 P42574 3/20 0.48
▸ MDM2 Q00987 5/20 0.48
▸ TLR2 O60603 2/20 0.45
▸ SLC17A5 Q9NRA2 1/20 0.44

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
SCHEMBL30229529 1.00 MDM4 (0.51) MDM4TP53CASP3MDM2TLR2
SCHEMBL27749256 1.00 MDM4 (0.51) MDM4TP53CASP3MDM2TLR2
SCHEMBL18795729 1.00 MDM4 (0.51) MDM4TP53CASP3MDM2TLR2
SCHEMBL850332 1.00 MDM4 (0.51) MDM4TP53CASP3MDM2TLR2
SCHEMBL24899350 0.94 MDM2 (0.47) MDM4TP53CASP3MDM2TLR2
SCHEMBL16100914 0.89 MDM4 (0.54) MDM4TP53CASP3MDM2TLR2
SCHEMBL16100911 0.89 MDM4 (0.54) MDM4TP53CASP3MDM2TLR2
SCHEMBL850472 0.89 CASP3 (0.50) MDM4TP53CASP3MDM2TLR2
SCHEMBL31671078 0.89 MDM4 (0.46) MDM4TP53CASP3MDM2
SCHEMBL377537 0.87 MDM4 (0.49) MDM4TP53CASP3MDM2SLC17A5

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
EP-4373835-A1 MACROCYLIC IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2024-05-29 — — EP disclosed
WO-2023004240-A1 MACROCYLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-01-26 — — WO disclosed
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