SCHEMBL30988972

SCHEMBL30988972

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

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.59
▸ KMT2A Q03164 2/20 0.53
▸ MDM4 O15151 2/20 0.51
▸ TP53 P04637 2/20 0.51
▸ MDM2 Q00987 2/20 0.50

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
SCHEMBL29401049 0.93 CASP3 (0.60) CASP3KMT2AMDM4TP53MDM2
SCHEMBL29401389 0.90 CASP3 (0.61) CASP3KMT2AMDM4TP53MDM2
SCHEMBL28641187 0.90 CASP3 (0.61) CASP3KMT2AMDM4TP53MDM2
SCHEMBL29400163 0.90 CASP3 (0.61) CASP3KMT2AMDM4TP53MDM2
SCHEMBL13163900 0.90 CASP3 (0.61) CASP3KMT2AMDM4TP53MDM2
SCHEMBL29907904 0.89 CASP3 (0.55) CASP3KMT2AMDM4TP53MDM2
SCHEMBL30919288 0.88 KMT2A (0.54) CASP3KMT2AMDM4TP53MDM2
SCHEMBL7163160 0.88 CASP3 (0.61) CASP3KMT2AMDM4TP53MDM2
SCHEMBL13382806 0.88 CASP3 (0.61) CASP3KMT2AMDM4TP53MDM2
SCHEMBL29738269 0.88 MDM4 (0.50) CASP3KMT2AMDM4TP53MDM2

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
Send feedback