SCHEMBL30678656

SCHEMBL30678656

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

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.53
KMT2A Q03164 2/20 0.51
TLR2 O60603 2/20 0.50
MDM4 O15151 1/20 0.44
TP53 P04637 1/20 0.44
MDM2 Q00987 4/20 0.44
EPHX2 P34913 1/20 0.43

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
SCHEMBL30353581 0.88 CASP3 (0.55) CASP3KMT2ATLR2MDM2
SCHEMBL119910 0.88 KMT2A (0.67) CASP3KMT2AMDM4TP53MDM2
SCHEMBL28413990 0.88 CASP3 (0.55) CASP3KMT2ATLR2MDM2
SCHEMBL31470993 0.87 CASP3 (0.63) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL30604630 0.87 CASP3 (0.63) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL120580 0.87 CASP3 (0.63) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL119480 0.85 CASP3 (0.54) CASP3KMT2AMDM4TP53MDM2
SCHEMBL13912589 0.85 CASP3 (0.54) CASP3KMT2AMDM4TP53MDM2
SCHEMBL10190364 0.85 TLR2 (0.51) CASP3KMT2ATLR2MDM4TP53
SCHEMBL14279917 0.85 CASP3 (0.59) CASP3KMT2ATLR2MDM4TP53

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-2025111578-A1 LINKERS COUPLING FUNCTIONAL LIGANDS TO MACROMOLECULES OLIX US, INC. (US) 2025-05-30 WO disclosed