SCHEMBL22444992

SCHEMBL22444992

COc1ccc(CCC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 7/20 0.56
MDM4 O15151 3/20 0.51
TP53 P04637 3/20 0.51
TLR2 O60603 2/20 0.46
CASP3 P42574 1/20 0.45
SLC17A5 Q9NRA2 1/20 0.44
PTPN1 P18031 1/20 0.44

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
SCHEMBL22444667 0.91 MDM2 (0.53) MDM2MDM4TP53TLR2CASP3
SCHEMBL29633915 0.89 MDM2 (0.46) MDM2MDM4TP53PTPN1
SCHEMBL28741484 0.89 MDM2 (0.46) MDM2MDM4TP53PTPN1
SCHEMBL22444618 0.87 MDM4 (0.52) MDM2MDM4TP53TLR2CASP3
SCHEMBL22444871 0.86 MDM2 (0.56) MDM2MDM4TP53TLR2CASP3
SCHEMBL25259836 0.86 MDM2 (0.53) MDM2MDM4TP53CASP3SLC17A5
SCHEMBL25259834 0.86 MDM2 (0.53) MDM2MDM4TP53CASP3SLC17A5
SCHEMBL22444788 0.85 MDM2 (0.63) MDM2MDM4TP53TLR2CASP3
SCHEMBL22444972 0.85 MDM2 (0.63) MDM2MDM4TP53TLR2CASP3
SCHEMBL22444598 0.85 MDM2 (0.56) MDM2MDM4TP53TLR2CASP3

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-2020189540-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE 中外製薬株式会社 2020-09-24 WO disclosed