SCHEMBL8744734

SCHEMBL8744734

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.36
ALDH1A1 P00352 3/20 0.33
CYP2C19 P33261 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
HTT P42858 1/20 0.32
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
CYP2B6 P20813 1/20 0.31
SLC6A3 Q01959 3/20 0.31
XIAP P98170 1/20 0.30
PSMB5 P28074 1/20 0.30
LMNA P02545 1/20 0.30
CHRNA1 P02708 2/20 0.30
CHRNG P07510 2/20 0.30
CHRNB1 P11230 2/20 0.30
CHRNB2 P17787 2/20 0.30

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
SCHEMBL9594732 0.85 SMN1; SMN2 (0.37) L3MBTL1ALDH1A1CYP2C19MEN1HPGD
SCHEMBL8744756 0.73 POLB (0.47) L3MBTL1ALDH1A1MAPK1KDM4EPOLB
SCHEMBL8744760 0.73 POLB (0.47) L3MBTL1ALDH1A1MAPK1KDM4EPOLB
SCHEMBL8089290 0.71 L3MBTL1 (0.33) L3MBTL1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL12214120 0.71 KDM4E (0.42) L3MBTL1ALDH1A1KDM4EMEN1HPGD
SCHEMBL8090802 0.70 MAPT (0.36) L3MBTL1KDM4EMEN1KMT2AHTT
SCHEMBL8082684 0.69 NLRP3 (0.34) L3MBTL1ALDH1A1KDM4EMEN1HPGD
SCHEMBL7447714 0.68 MEN1 (0.47) L3MBTL1ALDH1A1CYP2C19MEN1HPGD
SCHEMBL10999349 0.66 TSHR (0.41) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL8744741 0.66 KDM4E (0.33) L3MBTL1ALDH1A1KDM4EHPGDHTT

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