SCHEMBL2320535

SCHEMBL2320535

O=C(O)C[C@H](CCc1ccc(C(F)(F)F)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.52
CASP3 P42574 4/20 0.48
PTPN1 P18031 2/20 0.44
KMT2A Q03164 2/20 0.43
MDM4 O15151 2/20 0.40
TP53 P04637 2/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
EPHX2 P34913 1/20 0.39

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
SCHEMBL2311738 0.90 MDM2 (0.51) MDM2CASP3PTPN1KMT2A
SCHEMBL3590765 0.90 CASP3 (0.55) MDM2CASP3KMT2AMDM4TP53
SCHEMBL31276542 0.90 CASP3 (0.55) MDM2CASP3KMT2AMDM4TP53
SCHEMBL30055762 0.90 CASP3 (0.55) MDM2CASP3KMT2AMDM4TP53
SCHEMBL22960722 0.90 CASP3 (0.55) MDM2CASP3KMT2AMDM4TP53
SCHEMBL14332393 0.90 CASP3 (0.55) MDM2CASP3KMT2AMDM4TP53
SCHEMBL25264909 0.86 MDM2 (0.62) MDM2CASP3PTPN1MDM4TP53
SCHEMBL25657512 0.86 MDM2 (0.62) MDM2CASP3PTPN1MDM4TP53
SCHEMBL30510289 0.86 MDM2 (0.62) MDM2CASP3PTPN1MDM4TP53
SCHEMBL2310353 0.82 MDM2 (0.53) MDM2CASP3KMT2AMDM4TP53

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-2011092284-A1 NOVEL AMINO ACID DERIVATIVES AND THEIR USE AS GPR43 RECEPTOR MODULATORS EUROSCREEN S.A. (BE) 2011-08-04 WO disclosed