SCHEMBL22444684

SCHEMBL22444684

O=C(NC(CCc1ccccc1C(F)(F)F)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 7/20 0.53
TGM2 P21980 1/20 0.51
MDM4 O15151 3/20 0.50
TP53 P04637 3/20 0.50
TLR2 O60603 2/20 0.46
CASP3 P42574 2/20 0.46
SLC17A5 Q9NRA2 1/20 0.45

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
SCHEMBL119808 0.90 MDM4 (0.52) MDM2TGM2MDM4TP53CASP3
SCHEMBL29855441 0.90 MDM4 (0.52) MDM2TGM2MDM4TP53CASP3
SCHEMBL30802514 0.90 MDM4 (0.52) MDM2TGM2MDM4TP53CASP3
SCHEMBL2310209 0.90 MDM4 (0.52) MDM2TGM2MDM4TP53CASP3
SCHEMBL1409016 0.90 MDM4 (0.52) MDM2TGM2MDM4TP53CASP3
SCHEMBL29907898 0.90 MDM4 (0.52) MDM2TGM2MDM4TP53CASP3
SCHEMBL29928339 0.90 MDM4 (0.52) MDM2TGM2MDM4TP53CASP3
SCHEMBL28741599 0.88 MDM2 (0.46) MDM2TGM2MDM4TP53CASP3
SCHEMBL29633711 0.88 MDM2 (0.46) MDM2TGM2MDM4TP53CASP3
SCHEMBL31634976 0.88 MDM2 (0.49) MDM2TGM2MDM4TP53TLR2

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