SCHEMBL8744755

SCHEMBL8744755

CSC[C@H](NC(=O)Cc1c(C)cc(C)cc1C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.40
PSMB5 P28074 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
LMNA P02545 1/20 0.37
USP2 O75604 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL8744746 1.00 MAPK1 (0.40) MAPK1PSMB5KMT2AMEN1FNTA
SCHEMBL8744841 0.87 MEN1 (0.51) MAPK1KMT2AMEN1FNTAFNTB
SCHEMBL8744835 0.87 MEN1 (0.51) MAPK1KMT2AMEN1FNTAFNTB
SCHEMBL9595916 0.84 USP2 (0.39) PSMB5KMT2ALMNAUSP2POLB
SCHEMBL8744728 0.84 USP2 (0.39) PSMB5KMT2ALMNAUSP2POLB
SCHEMBL8744827 0.82 MAPK1 (0.56) MAPK1KMT2AMEN1LMNAPOLB
SCHEMBL8744819 0.82 MAPK1 (0.56) MAPK1KMT2AMEN1LMNAPOLB
SCHEMBL8744709 0.82 ACE (0.55)
SCHEMBL8744713 0.82 ACE (0.55)
SCHEMBL8744760 0.80 POLB (0.47) MAPK1PSMB5LMNAPOLBALDH1A1

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
EP-0456063-B1 1-H-3-aryl-pyrrolidin-2,4-dion-derivatives BAYER AG (DE) 1997-01-22 EP disclosed
EP-0456063-A2 1-H-3-aryl-pyrrolidin-2,4-dion-derivatives BAYER AG (DE) 1991-11-13 EP disclosed