SCHEMBL14345718

SCHEMBL14345718

COCC1(C)NC(=O)C(c2cc(-c3ccc(Cl)cc3)ccc2Cl)=C1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 13/20 0.55
ACACA Q13085 13/20 0.55
GSK3B P49841 3/20 0.35
JAK2 O60674 1/20 0.35
NTRK1 P04629 1/20 0.35
MET P08581 1/20 0.35
FGFR1 P11362 1/20 0.35
PRKACA P17612 1/20 0.35
KDR P35968 1/20 0.35
MAP2K2 P36507 1/20 0.35
FLT3 P36888 1/20 0.35
MAP2K1 Q02750 1/20 0.35
MST1R Q04912 1/20 0.35
NTRK3 Q16288 1/20 0.35
NTRK2 Q16620 1/20 0.35
CAMK1D Q8IU85 1/20 0.35
TDP2 O95551 1/20 0.34
GSK3A P49840 1/20 0.34
RECQL P46063 1/20 0.33
PGR P06401 1/20 0.33

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
SCHEMBL4546196 0.90 ACACB (0.67) ACACBACACAGSK3BJAK2NTRK1
SCHEMBL4546183 0.87 ACACB (0.47) ACACBACACAGSK3BJAK2NTRK1
SCHEMBL4550020 0.84 ACACB (0.44) ACACBACACAGSK3BJAK2NTRK1
SCHEMBL12136946 0.83 ACACB (0.44) ACACBACACAGSK3BGSK3ARECQL
SCHEMBL4546185 0.82 ACACB (0.50) ACACBACACAGSK3BGSK3ARECQL
SCHEMBL6113587 0.79 ACACB (0.61) ACACBACACAGSK3BJAK2NTRK1
SCHEMBL4546200 0.78 ACACB (0.46) ACACBACACARECQL
SCHEMBL4546190 0.77 ACACB (0.48) ACACBACACARECQL
SCHEMBL2347074 0.76 ACACB (0.84) ACACBACACAGSK3BJAK2NTRK1
SCHEMBL2351493 0.76 ACACB (0.66) ACACBACACAGSK3BJAK2NTRK1

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-2007140881-A1 ALKOXYALKYL-SUBSTITUTED CYCLIC KETO-ENOLS BAYER CROPSCIENCE AG (DE) 2007-12-13 WO disclosed