SCHEMBL22444786

SCHEMBL22444786

COC(=O)C(CCc1cc(F)c(C(F)(F)F)c(F)c1)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 3/20 0.44
MDM4 O15151 3/20 0.44
TP53 P04637 3/20 0.44
PTPN1 P18031 3/20 0.41
CASP3 P42574 1/20 0.41

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
SCHEMBL22454533 0.92 MDM4 (0.43) MDM2MDM4TP53PTPN1
SCHEMBL28741433 0.92 MDM4 (0.43) MDM2MDM4TP53PTPN1
SCHEMBL29633764 0.92 MDM4 (0.43) MDM2MDM4TP53PTPN1
SCHEMBL29633746 0.92 MDM4 (0.43) MDM2MDM4TP53PTPN1
SCHEMBL24633854 0.91 MDM2 (0.51) MDM2MDM4TP53CASP3
SCHEMBL22444699 0.91 MDM2 (0.51) MDM2MDM4TP53CASP3
SCHEMBL31369983 0.91 MDM2 (0.51) MDM2MDM4TP53CASP3
SCHEMBL29855552 0.91 MDM2 (0.51) MDM2MDM4TP53CASP3
SCHEMBL22444895 0.90 MDM4 (0.45) MDM2MDM4TP53PTPN1CASP3
SCHEMBL22444938 0.90 HDAC1 (0.48) MDM2MDM4TP53PTPN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113692401-A Process for producing aromatic amino acid derivative 中外制药株式会社 2021-11-23 CN disclosed
WO-2020189540-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE 中外製薬株式会社 2020-09-24 WO disclosed