SCHEMBL13065685

SCHEMBL13065685

CCc1ccc(-c2ccc(Cl)cc2)cc1C1=C(O)[C@@H]2C(C1=O)[C@@H]1C=C[C@H]2CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.35
ACACA Q13085 5/20 0.35
EDNRB P24530 2/20 0.34
EDNRA P25101 2/20 0.34
JAK2 O60674 1/20 0.33
NTRK1 P04629 1/20 0.33
MET P08581 1/20 0.33
FGFR1 P11362 1/20 0.33
PRKACA P17612 1/20 0.33
KDR P35968 1/20 0.33
MAP2K2 P36507 1/20 0.33
FLT3 P36888 1/20 0.33
GSK3B P49841 1/20 0.33
MAP2K1 Q02750 1/20 0.33
MST1R Q04912 1/20 0.33
NTRK3 Q16288 1/20 0.33
NTRK2 Q16620 1/20 0.33
CAMK1D Q8IU85 1/20 0.33
ERCC5 P28715 1/20 0.31
FEN1 P39748 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
SCHEMBL432177 1.00 ACACB (0.35) ACACBACACAEDNRBEDNRAJAK2
SCHEMBL431046 0.86 EDNRB (0.38) ACACBACACAEDNRBEDNRAJAK2
SCHEMBL432700 0.86 ACACB (0.46) ACACBACACAEDNRBEDNRAJAK2
SCHEMBL431036 0.84 ACACB (0.35) ACACBACACAEDNRBEDNRAJAK2
SCHEMBL432716 0.84 SMN1; SMN2 (0.37) ACACBACACAEDNRBEDNRAJAK2
SCHEMBL431272 0.84 SMN1; SMN2 (0.37) ACACBACACAEDNRBEDNRAJAK2
SCHEMBL432710 0.84 SMN1; SMN2 (0.37) ACACBACACAEDNRBEDNRAJAK2
SCHEMBL430149 0.84 SMN1; SMN2 (0.37) ACACBACACAEDNRBEDNRAJAK2
SCHEMBL6727447 0.83 ACACB (0.36) ACACBACACAEDNRBEDNRAJAK2
SCHEMBL18873819 0.83 ACACB (0.36) ACACBACACAEDNRBEDNRAJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010133232-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-11-25 WO disclosed