SCHEMBL6989515

SCHEMBL6989515

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.41
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 3/20 0.37
MAPK1 P28482 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
USP2 O75604 3/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 2/20 0.36
CA2 P00918 2/20 0.36
LPAR1 Q92633 1/20 0.35
MEN1 O00255 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL4433341 0.84 GAA (0.40) ALDH1A1KDM4EUSP2KMT2AGAA
SCHEMBL1813818 0.74 HTR2C (0.33) ACHEALDH1A1KDM4ETSHRMAPK1
SCHEMBL6997566 0.70 CA2 (0.37) ACHEALDH1A1KDM4ECYP3A4TSHR
SCHEMBL1153007 0.69 MAP3K14 (0.35) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL8650400 0.68 GAA (0.54) ALDH1A1KDM4ETSHRMAPK1KMT2A
SCHEMBL8712306 0.67 ALDH1A1 (0.41) ALDH1A1KDM4EKMT2AMEN1
SCHEMBL15305520 0.67 ACHE (0.37) ACHEALDH1A1KDM4ETSHRMAPK1
SCHEMBL6986616 0.66 CA2 (0.36) ACHEALDH1A1KDM4EMAPK1GAA
SCHEMBL12180448 0.65 ACHE (0.54) ACHEALDH1A1CYP3A4KMT2AMEN1
SCHEMBL8647174 0.63 ALDH1A1 (0.39) ALDH1A1KDM4EKMT2AGAAMEN1

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