SCHEMBL8744819

SCHEMBL8744819

Cc1cc(C)c(CC(=O)NC(CC(C)C)C(=O)O)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.56
ALDH1A1 P00352 5/20 0.53
KMT2A Q03164 3/20 0.51
POLB P06746 2/20 0.51
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
PYGL P06737 1/20 0.49
KDM4E B2RXH2 1/20 0.48
GRN P28799 2/20 0.48
SORT1 Q99523 2/20 0.48
CYP2C19 P33261 1/20 0.46
FOLH1 Q04609 1/20 0.45
MAPT P10636 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
NTSR1 P30989 1/20 0.43

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
SCHEMBL8744827 1.00 MAPK1 (0.56) MAPK1ALDH1A1KMT2APOLBMEN1
SCHEMBL6992737 0.88 ALDH1A1 (0.49) MAPK1ALDH1A1KMT2APOLBMEN1
SCHEMBL6992741 0.88 ALDH1A1 (0.49) MAPK1ALDH1A1KMT2APOLBMEN1
SCHEMBL6995117 0.87 ALDH1A1 (0.50) MAPK1ALDH1A1KMT2APOLBMEN1
SCHEMBL6995119 0.87 ALDH1A1 (0.50) MAPK1ALDH1A1KMT2APOLBMEN1
SCHEMBL8744806 0.84 TAS1R3 (0.50) MAPK1ALDH1A1KMT2APOLBLMNA
SCHEMBL9593287 0.84 TAS1R3 (0.50) MAPK1ALDH1A1KMT2APOLBLMNA
SCHEMBL8744760 0.83 POLB (0.47) MAPK1ALDH1A1POLBLMNAKDM4E
SCHEMBL8744756 0.83 POLB (0.47) MAPK1ALDH1A1POLBLMNAKDM4E
SCHEMBL8744755 0.82 MAPK1 (0.40) MAPK1ALDH1A1KMT2APOLBMEN1

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