SCHEMBL22444641

SCHEMBL22444641

CC(C)c1ccc(CC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 3/20 0.52
TP53 P04637 3/20 0.52
CASP3 P42574 3/20 0.50
PTPN1 P18031 2/20 0.48
MDM2 Q00987 3/20 0.47
TNF P01375 1/20 0.46
TLR2 O60603 1/20 0.46

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
SCHEMBL29929113 1.00 MDM4 (0.52) MDM4TP53CASP3PTPN1MDM2
SCHEMBL29349650 0.90 MDM4 (0.59) MDM4TP53CASP3MDM2TNF
SCHEMBL29398498 0.90 MDM4 (0.59) MDM4TP53CASP3MDM2TNF
SCHEMBL30291593 0.90 MDM4 (0.59) MDM4TP53CASP3MDM2TNF
SCHEMBL119455 0.90 MDM4 (0.59) MDM4TP53CASP3MDM2TNF
SCHEMBL29367434 0.90 MDM4 (0.59) MDM4TP53CASP3MDM2TNF
SCHEMBL1228254 0.90 MDM4 (0.59) MDM4TP53CASP3MDM2TNF
SCHEMBL118169 0.90 MDM4 (0.59) MDM4TP53CASP3MDM2TNF
SCHEMBL29440768 0.90 MDM4 (0.59) MDM4TP53CASP3MDM2TNF
SCHEMBL18359346 0.90 MDM4 (0.59) MDM4TP53CASP3MDM2TNF

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