SCHEMBL6998330

SCHEMBL6998330

COc1ccc(C2C(=O)NC(C)(C3CC3)C2=O)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP3A4 P08684 1/20 0.37
THRB P10828 1/20 0.37
DDB1 Q16531 4/20 0.36
CRBN Q96SW2 4/20 0.36
FPR1 P21462 1/20 0.36
FPR2 P25090 1/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34

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
SCHEMBL4433818 0.88 CA2 (0.49) CA2ALDH1A1MAPK1SMN1; SMN2KDM4E
SCHEMBL7780291 0.72 CRBN (0.33) HSD17B10DDB1CRBN
SCHEMBL11211077 0.70 MAPT (0.42) CA2ALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL7778443 0.70 CHRM2 (0.30)
SCHEMBL7780304 0.68 TP53 (0.40) ALDH1A1MAPK1KDM4EGAAHPGD
SCHEMBL6872023 0.66 PROKR1 (0.44) GAANOS3NOS1NOS2MAPT
SCHEMBL28829906 0.66 HTR2C (0.40) CA2ALDH1A1GAAMAPT
SCHEMBL6992901 0.65 ALDH1A1 (0.37) CA2ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL11222272 0.65 ACHE (0.43) CA2ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL4426483 0.65 CA2 (0.38) CA2THRBFPR1FPR2LMNA

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