SCHEMBL4609825

SCHEMBL4609825

[CH2]CC1=C(c2cc(C)ccc2C)C(=O)NC12CCC(OC)CC2

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 13/20 0.51
ACACA Q13085 13/20 0.51
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
THRB P10828 1/20 0.33
BACE1 P56817 1/20 0.32
KMT2A Q03164 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
SCHEMBL4609822 1.00 ACACB (0.51) ACACBACACACHRM2CHRM4CHRM5
SCHEMBL325852 0.84 ACACB (0.39) ACACBACACATHRBKMT2A
SCHEMBL23673276 0.83 ACACB (0.49) ACACBACACACHRM2CHRM4CHRM5
SCHEMBL31275241 0.83 ACACB (0.49) ACACBACACATHRBKMT2A
SCHEMBL143382 0.83 ACACB (0.70) ACACBACACACHRM2CHRM4CHRM5
SCHEMBL30057496 0.83 ACACB (0.70) ACACBACACACHRM2CHRM4CHRM5
SCHEMBL143383 0.83 ACACB (0.70) ACACBACACACHRM2CHRM4CHRM5
SCHEMBL27207666 0.83 ACACB (0.48) ACACBACACACHRM2CHRM4CHRM5
SCHEMBL879062 0.79 ACACB (0.50) ACACBACACACHRM2CHRM4CHRM5
SCHEMBL10328459 0.79 ACACB (0.50) ACACBACACACHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1978023-A1 Pyridazines as fungicides Bayer CropScience Aktiengesellschaft (DE) 2008-10-08 EP disclosed
EP-1947947-A1 SYNERGISTIC INSECTICIDAL MIXTURES FOR SEED TREATMENT Bayer CropScience AG (DE) 2008-07-30 EP disclosed
EP-1916897-A1 SYNERGISTIC INSECTICIDE MIXTURES BAYER CROPSCIENCE AG (DE) 2008-05-07 EP disclosed
EP-1858899-A1 HETEROBICYCLIC ACRYLAMIDES Bayer CropScience AG (DE) 2007-11-28 EP disclosed
WO-2007054214-A1 SYNERGISTIC INSECTICIDAL MIXTURES FOR SEED TREATMENT BAYER CROPSCIENCE AG (DE) 2007-05-18 WO disclosed
WO-2007019962-A1 SYNERGISTIC INSECTICIDE MIXTURES BAYER CROPSCIENCE AG (DE) 2007-02-22 WO disclosed
WO-2006094666-A1 HETEROBICYCLIC ACRYLAMIDES BAYER CROPSCIENCE AG (DE) 2006-09-14 WO disclosed