SCHEMBL30988976

SCHEMBL30988976

[2H]OC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.56
MDM4 O15151 3/20 0.56
TP53 P04637 3/20 0.56
KMT2A Q03164 2/20 0.53
MDM2 Q00987 5/20 0.48
SLC17A5 Q9NRA2 1/20 0.47

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
SCHEMBL378041 0.93 CASP3 (0.64) CASP3MDM4TP53KMT2AMDM2
SCHEMBL30055375 0.93 CASP3 (0.64) CASP3MDM4TP53KMT2AMDM2
SCHEMBL1486199 0.93 CASP3 (0.64) CASP3MDM4TP53KMT2AMDM2
SCHEMBL378040 0.93 CASP3 (0.64) CASP3MDM4TP53KMT2AMDM2
SCHEMBL29367388 0.93 CASP3 (0.64) CASP3MDM4TP53KMT2AMDM2
SCHEMBL29352428 0.93 CASP3 (0.64) CASP3MDM4TP53KMT2AMDM2
SCHEMBL30988971 0.88 MDM4 (0.54) CASP3MDM4TP53KMT2AMDM2
SCHEMBL30549389 0.88 MDM4 (0.54) CASP3MDM4TP53KMT2AMDM2
SCHEMBL31297461 0.88 MDM4 (0.54) CASP3MDM4TP53KMT2AMDM2
SCHEMBL30656568 0.86 MDM4 (0.59) CASP3MDM4TP53KMT2AMDM2

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-2024097744-A2 DNA-COMPATIBLE WITTIG OLEFINATION OF ON-DNA PEPTIDYL-YLIDES FOR DEVELOPMENT OF ON-DNA PEPTIDOMIMETICS THROUGH DIVERSITY-ORIENTED SYNTHESIS (DOS) THE ROCKEFELLER UNIVERSITY (US) 2024-05-10 WO disclosed