SCHEMBL21895802

SCHEMBL21895802

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

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 4/20 0.45
MDM4 O15151 2/20 0.42
TP53 P04637 2/20 0.42
MDM2 Q00987 4/20 0.41
TNF P01375 3/20 0.40
CASP3 P42574 1/20 0.38

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
SCHEMBL25657561 0.85 TLR2 (0.56) TLR2MDM4TP53MDM2TNF
SCHEMBL21837441 0.85 TLR2 (0.56) TLR2MDM4TP53MDM2TNF
SCHEMBL21837443 0.85 TLR2 (0.56) TLR2MDM4TP53MDM2TNF
SCHEMBL30062757 0.85 TLR2 (0.56) TLR2MDM4TP53MDM2TNF
SCHEMBL30682794 0.85 TLR2 (0.56) TLR2MDM4TP53MDM2TNF
SCHEMBL23935498 0.84 POLB (0.41) TLR2MDM4TP53MDM2TNF
SCHEMBL10076575 0.82 CASP3 (0.41) MDM4TP53CASP3
SCHEMBL24633696 0.82 MDM4 (0.46) TLR2MDM4TP53MDM2CASP3
SCHEMBL178799 0.79 KMT2A (0.52) TLR2MDM4TP53MDM2
SCHEMBL24633706 0.79 MDM4 (0.43) TLR2MDM4TP53MDM2CASP3

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 2 patents. 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
EP-3636807-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME Chugai Seiyaku Kabushiki Kaisha (JP) 2020-04-15 EP disclosed