SCHEMBL22444707

SCHEMBL22444707

COc1ccc(CC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1F

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 3/20 0.50
TP53 P04637 3/20 0.50
MDM2 Q00987 2/20 0.50
PTPN1 P18031 5/20 0.48
FPR2 P25090 1/20 0.48
TNF P01375 1/20 0.46
CASP3 P42574 1/20 0.46
TLR2 O60603 2/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 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
SCHEMBL1405761 0.92 FPR2 (0.56) MDM4TP53MDM2PTPN1FPR2
SCHEMBL800161 0.92 FPR2 (0.56) MDM4TP53MDM2PTPN1FPR2
SCHEMBL800302 0.92 FPR2 (0.56) MDM4TP53MDM2PTPN1FPR2
SCHEMBL29679506 0.92 FPR2 (0.56) MDM4TP53MDM2PTPN1FPR2
SCHEMBL22444702 0.91 MDM2 (0.49) MDM4TP53MDM2PTPN1TNF
SCHEMBL21838001 0.90 MDM2 (0.48) MDM4TP53MDM2PTPN1CASP3
SCHEMBL21838000 0.90 MDM2 (0.48) MDM4TP53MDM2PTPN1CASP3
SCHEMBL29855019 0.90 MDM2 (0.48) MDM4TP53MDM2PTPN1CASP3
SCHEMBL30889879 0.90 MDM2 (0.48) MDM4TP53MDM2PTPN1CASP3
SCHEMBL31688724 0.89 MDM4 (0.52) MDM4TP53MDM2PTPN1FPR2

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