SCHEMBL6997566

SCHEMBL6997566

CCC1(CC)NC(=O)C(c2ccc(C)cc2OC)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.37
ACHE P22303 1/20 0.37
ALDH1A1 P00352 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP3A4 P08684 1/20 0.34
KDM4E B2RXH2 4/20 0.34
ALOX15 P16050 1/20 0.34
EPHX1 P07099 1/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD11B1 P28845 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 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
SCHEMBL8863015 0.83 MEN1 (0.35) ALDH1A1L3MBTL1KDM4EALOX15HSD17B10
SCHEMBL6986616 0.78 CA2 (0.36) CA2ACHEALDH1A1L3MBTL1TDP1
SCHEMBL8862581 0.73 MEN1 (0.34) ALDH1A1L3MBTL1CYP3A4KDM4EALOX15
SCHEMBL6989515 0.70 ACHE (0.41) CA2ACHEALDH1A1L3MBTL1TDP1
SCHEMBL8863034 0.64 MEN1 (0.33) ALDH1A1KDM4EALOX15HSD17B10MEN1
SCHEMBL12180448 0.62 ACHE (0.54) ACHEALDH1A1L3MBTL1CYP3A4MEN1
SCHEMBL11027190 0.61 ALDH1A1 (0.39) ALDH1A1TDP1KDM4EHSD17B10MEN1
SCHEMBL10187102 0.61 L3MBTL1 (0.60) ACHEALDH1A1L3MBTL1TDP1CYP3A4
SCHEMBL8862627 0.60 ALDH1A1 (0.33) ALDH1A1ALOX15HSD17B10MEN1ALOX12
SCHEMBL14258683 0.60 ACHE (0.52) ACHEALDH1A1L3MBTL1TDP1CYP3A4

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