SCHEMBL23935524

SCHEMBL23935524

CC(C)(C)OC(=O)[C@H](CCO)NC(=O)OCC1C2=C(CCC=C2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 2/20 0.41
TP53 P04637 2/20 0.41
MDM2 Q00987 3/20 0.41
BACE1 P56817 1/20 0.38
CASP3 P42574 1/20 0.35
TLR2 O60603 1/20 0.35
TLR1 Q15399 1/20 0.35

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
SCHEMBL19944058 0.93 MDM4 (0.41) MDM4TP53MDM2TLR2
SCHEMBL27256575 0.90 MDM4 (0.42) MDM4TP53MDM2BACE1CASP3
SCHEMBL29019482 0.85 MDM4 (0.51) MDM4TP53MDM2BACE1CASP3
SCHEMBL29019485 0.85 MDM4 (0.51) MDM4TP53MDM2BACE1CASP3
SCHEMBL30457847 0.85 MDM4 (0.51) MDM4TP53MDM2BACE1CASP3
SCHEMBL31370634 0.85 MDM4 (0.51) MDM4TP53MDM2BACE1CASP3
SCHEMBL10076575 0.82 CASP3 (0.41) MDM4TP53CASP3
SCHEMBL10022278 0.79 MDM2 (0.52) MDM4TP53MDM2CASP3TLR2
SCHEMBL24633696 0.78 MDM4 (0.46) MDM4TP53MDM2CASP3TLR2
SCHEMBL26761659 0.78 MDM4 (0.38) MDM4TP53MDM2CASP3TLR2

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
EP-3896056-A1 AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2021-10-20 EP disclosed