SCHEMBL8744736

SCHEMBL8744736

CCCC(C)(NC(=O)Cc1c(C)cc(C)cc1C)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HPGD P15428 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
NLRP3 Q96P20 1/20 0.31
ALDH1A1 P00352 1/20 0.31
P2RX7 Q99572 1/20 0.31

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
SCHEMBL6994763 0.91 LMNA (0.37) LMNAMEN1MAPTHTTKMT2A
SCHEMBL6992106 0.89 KMT2A (0.36) LMNAMEN1MAPTHTTKMT2A
SCHEMBL8874342 0.89 HPGD (0.38) LMNAMEN1MAPTHTTKMT2A
SCHEMBL8862726 0.83 P2RX7 (0.39) MEN1HTTKMT2AHPGDSMN1; SMN2
SCHEMBL7958365 0.81 SMN1; SMN2 (0.37) LMNAMEN1MAPTHTTKMT2A
SCHEMBL12137076 0.79 L3MBTL1 (0.32) LMNAMEN1MAPTHTTKMT2A
SCHEMBL6992889 0.78 TP53 (0.36) LMNAMEN1MAPTHTTKMT2A
SCHEMBL1359687 0.78 CNR2 (0.37) LMNAMEN1MAPTHTTKMT2A
SCHEMBL9593911 0.78 HPGD (0.36) LMNAMEN1MAPTHTTKMT2A
SCHEMBL8744778 0.76 TAS1R3 (0.46) LMNAMEN1MAPTHTTKMT2A

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 3 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
US-5258527-A Insecticidal, acaricidal and herbicidal 1-H-3-aryl-pyrrolidine-2,4-dione derivatives BAYER AKTIENGESELLSCHAFT (DE) 1993-11-02 US disclosed
EP-0456063-A2 1-H-3-aryl-pyrrolidin-2,4-dion-derivatives BAYER AG (DE) 1991-11-13 EP disclosed