SCHEMBL22444871

SCHEMBL22444871

O=C(NC(CCc1ccc(C(F)(F)F)cc1F)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 7/20 0.56
MDM4 O15151 3/20 0.49
TP53 P04637 3/20 0.49
SLC17A5 Q9NRA2 1/20 0.44
TLR2 O60603 2/20 0.43
PTPN1 P18031 2/20 0.43
CASP3 P42574 2/20 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
SCHEMBL22444647 0.91 MDM2 (0.53) MDM2MDM4TP53SLC17A5PTPN1
SCHEMBL28741586 0.89 MDM2 (0.46) MDM2MDM4TP53PTPN1
SCHEMBL29634117 0.89 MDM2 (0.46) MDM2MDM4TP53PTPN1
SCHEMBL22444618 0.86 MDM4 (0.52) MDM2MDM4TP53SLC17A5TLR2
SCHEMBL22444992 0.86 MDM2 (0.56) MDM2MDM4TP53SLC17A5TLR2
SCHEMBL25264909 0.85 MDM2 (0.62) MDM2MDM4TP53TLR2PTPN1
SCHEMBL30510289 0.85 MDM2 (0.62) MDM2MDM4TP53TLR2PTPN1
SCHEMBL25657512 0.85 MDM2 (0.62) MDM2MDM4TP53TLR2PTPN1
SCHEMBL22444625 0.85 MDM2 (0.55) MDM2MDM4TP53SLC17A5TLR2
SCHEMBL22444684 0.84 MDM2 (0.53) MDM2MDM4TP53SLC17A5TLR2

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