SCHEMBL6986616

SCHEMBL6986616

COc1cc(C)ccc1C1C(=O)NC(C)(CC(C)C)C1=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.36
ADAM17 P78536 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34
LPAR1 Q92633 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
ACHE P22303 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.32
HSD11B1 P28845 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL4426474 0.87 ADAM17 (0.46) CA2ADAM17ADAMTS5LPAR1LMNA
SCHEMBL8862627 0.85 ALDH1A1 (0.33) ADAM17ADAMTS5LMNAALDH1A1GAA
SCHEMBL6997566 0.78 CA2 (0.37) CA2SMN1; SMN2ACHEALDH1A1KDM4E
SCHEMBL8558103 0.76 MDM2 (0.33) ADAM17ADAMTS5LMNAGAAMAPK1
SCHEMBL8863034 0.69 MEN1 (0.33) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6989515 0.66 ACHE (0.41) CA2LPAR1ACHEALDH1A1KDM4E
SCHEMBL7766420 0.65 ALDH1A1 (0.35) LMNAALDH1A1GAAHPGDHSD17B10
SCHEMBL4433853 0.65 ADAM17 (0.39) CA2ADAM17ADAMTS5LPAR1LMNA
SCHEMBL4433818 0.63 CA2 (0.49) CA2SMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL7000259 0.62 MAPT (0.32) ACHE

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0754175-B1 ALKOXY-ALKYL-SUBSTITUTED 1-H-3-ARYL-PYRROLIDINE-2,4-DIONES USED AS HERBICIDES AND PESTICIDES BAYER CROPSCIENCE AG (DE) 2003-01-29 EP disclosed
US-6172255-B1 INSECTICIDES; MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-01-09 US disclosed
US-5830826-A Alkoxy-alkyl-substituted 1H-3-aryl-pyrrolidine-2, 4-diones used as herbicicides and pesticides BAYER AKTIENGESELLSCHAFT (DE) 1998-11-03 US disclosed
EP-0754175-A1 ALKOXY-ALKYL-SUBSTITUTED 1-H-3-ARYL-PYRROLIDINE-2,4-DIONES USED AS HERBICIDES AND PESTICIDES BAYER AG (DE) 1997-01-22 EP disclosed
WO-1995026954-A1 ALKOXY-ALKYL-SUBSTITUTED 1-H-3-ARYL-PYRROLIDINE-2,4-DIONES USED AS HERBICIDES AND PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1995-10-12 WO disclosed