SCHEMBL6994973

SCHEMBL6994973

COc1cc(C)c(C2C(=O)NC3(CCCCC3)C2=O)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 5/20 0.42
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
AKR1B1 P15121 1/20 0.33
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
NPC1 O15118 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
SCHEMBL6994760 0.87 SMN1; SMN2 (0.38) PDE7AKMT2AMEN1LMNAALDH1A1
SCHEMBL8652013 0.86 KMT2A (0.40) PDE7AKMT2AAKR1B1POLBLMNA
SCHEMBL3176738 0.85 PDE7A (0.35) PDE7AKMT2APOLBNPC1
SCHEMBL8645554 0.84 KMT2A (0.38) PDE7AKMT2APOLBLMNAALDH1A1
SCHEMBL12496896 0.83 PDE7A (0.40) PDE7AKMT2APOLB
SCHEMBL1721097 0.82 MAPT (0.35) KMT2AALDH1A1
SCHEMBL1153876 0.81 PDE7A (0.41) PDE7AKMT2AMEN1LMNAMAPK1
SCHEMBL2434247 0.81 PDE7A (0.33) PDE7AKMT2APOLBNPC1
SCHEMBL1475886 0.81 KMT2A (0.37) PDE7AKMT2APOLBNPC1
SCHEMBL15440893 0.81 KMT2A (0.31) KMT2A

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