SCHEMBL31410099

SCHEMBL31410099

COC(=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 3/20 0.57
▸ MDM4 O15151 3/20 0.57
▸ TP53 P04637 3/20 0.57
▸ TNF P01375 3/20 0.54
▸ MDM2 Q00987 3/20 0.52
▸ TLR2 O60603 1/20 0.49
▸ KMT2A Q03164 1/20 0.49

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
SCHEMBL2632223 1.00 CASP3 (0.57) CASP3MDM4TP53TNFMDM2
SCHEMBL6190530 1.00 CASP3 (0.57) CASP3MDM4TP53TNFMDM2
SCHEMBL29508216 1.00 CASP3 (0.57) CASP3MDM4TP53TNFMDM2
SCHEMBL119370 1.00 CASP3 (0.57) CASP3MDM4TP53TNFMDM2
SCHEMBL31681818 1.00 CASP3 (0.57) CASP3MDM4TP53TNFMDM2
SCHEMBL29379911 1.00 CASP3 (0.57) CASP3MDM4TP53TNFMDM2
SCHEMBL30656568 0.93 MDM4 (0.59) CASP3MDM4TP53TNFMDM2
SCHEMBL8009538 0.91 CASP3 (0.53) CASP3MDM4TP53TNFMDM2
SCHEMBL29613683 0.91 CASP3 (0.55) CASP3MDM4TP53TNFMDM2
SCHEMBL29277316 0.90 CASP3 (0.54) CASP3MDM4TP53TNFMDM2

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-2025076219-A1 METHODS AND COMPOUNDS FOR MODULATING HUNTINGTON'S DISEASE Design Therapeutics, Inc. (US) 2025-04-10 — — WO disclosed
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