SCHEMBL22444667

SCHEMBL22444667

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

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 6/20 0.53
MDM4 O15151 3/20 0.52
TP53 P04637 3/20 0.52
CASP3 P42574 2/20 0.46
SLC17A5 Q9NRA2 1/20 0.45
PTPN1 P18031 1/20 0.45
TNF P01375 1/20 0.43
TLR2 O60603 1/20 0.42

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
SCHEMBL25259834 0.92 MDM2 (0.53) MDM2MDM4TP53CASP3SLC17A5
SCHEMBL25259836 0.92 MDM2 (0.53) MDM2MDM4TP53CASP3SLC17A5
SCHEMBL22444992 0.91 MDM2 (0.56) MDM2MDM4TP53CASP3SLC17A5
SCHEMBL38666359 0.89 MDM2 (0.53) MDM2MDM4TP53CASP3SLC17A5
SCHEMBL29633816 0.89 MDM4 (0.45) MDM2MDM4TP53SLC17A5PTPN1
SCHEMBL20767798 0.88 MDM4 (0.48) MDM2MDM4TP53SLC17A5PTPN1
SCHEMBL16822567 0.88 MDM4 (0.48) MDM2MDM4TP53SLC17A5PTPN1
SCHEMBL29221355 0.86 MDM2 (0.50) MDM2MDM4TP53CASP3SLC17A5
SCHEMBL29221358 0.86 MDM2 (0.50) MDM2MDM4TP53CASP3SLC17A5
SCHEMBL19580578 0.86 MDM2 (0.54) MDM2MDM4TP53CASP3SLC17A5

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