SCHEMBL8906325

SCHEMBL8906325

Cc1ccc(C2C(=O)NC3(CCC(C)CC3)C2=O)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
PDE7A Q13946 1/20 0.38
FPR2 P25090 1/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
HTT P42858 2/20 0.35
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
BRCA1 P38398 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MGLL Q99685 3/20 0.33
LMNA P02545 2/20 0.32
PBRM1 Q86U86 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL7769002 0.86 KMT2A (0.42) PDE7ADDB1CRBNHTTMEN1
SCHEMBL8863053 0.86 KMT2A (0.42) PDE7ADDB1CRBNHTTMEN1
SCHEMBL6767166 0.84 ALDH1A1 (0.36) DDB1CRBNMEN1ALDH1A1KMT2A
SCHEMBL7619891 0.83 THRB (0.39) THRBPDE7AFPR2DDB1CRBN
SCHEMBL8905942 0.79 GAA (0.42) THRBPDE7AHTTMEN1ALDH1A1
SCHEMBL7781016 0.77 DDB1 (0.36) DDB1CRBNHTTMEN1ALDH1A1
SCHEMBL7614135 0.76 THRB (0.36) THRBPDE7AFPR2DDB1CRBN
SCHEMBL2070159 0.75 ACACB (0.39) THRBDDB1CRBNHTTMEN1
SCHEMBL11028523 0.75 ACACB (0.39) THRBDDB1CRBNHTTMEN1
SCHEMBL11025895 0.75 ACACB (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5677449-A PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-14 US disclosed
US-5462913-A Pesticides, insecticides, miticides, herbicides BAYER AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed
EP-0596298-A2 5-Spirosubstituted 1-H-3-aryl-pyrrolidin-2,4-dione derivatives as herbicides, insecticides and acaricides BAYER AG (DE) 1994-05-11 EP disclosed