SCHEMBL13071296

SCHEMBL13071296

CCc1cc(C)cc(OC)c1C1=C(O)C2(CCC(C=O)CC2)NC1=O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 11/20 0.42
ACACA Q13085 11/20 0.42
ERN1 O75460 1/20 0.31
CDK4 P11802 1/20 0.30
CCND1 P24385 1/20 0.30
GSK3B P49841 1/20 0.30

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
SCHEMBL13328259 0.89 ACACB (0.41) ACACBACACA
SCHEMBL13070822 0.88 ACACB (0.48) ACACBACACACDK4CCND1GSK3B
SCHEMBL13070875 0.85 ACACB (0.37) ACACBACACA
SCHEMBL13255226 0.85 ACACB (0.39) ACACBACACA
SCHEMBL14129223 0.80 ACACB (0.45) ACACBACACA
SCHEMBL13096250 0.80 ACACB (0.50) ACACBACACA
SCHEMBL12724985 0.78 ACACB (0.46) ACACBACACACDK4CCND1GSK3B
SCHEMBL13096248 0.78 ACACB (0.39) ACACBACACA
SCHEMBL13070828 0.78 KMT2A (0.33) ACACBACACACDK4CCND1GSK3B
SCHEMBL13071298 0.78 ACACB (0.46) ACACBACACACDK4CCND1GSK3B

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
EP-2253207-A1 Substituted phenyl acetic acid esters Bayer CropScience AG (DE) 2010-11-24 EP disclosed
EP-2216316-A1 Phenyl acetic acid derivatives Bayer CropScience Aktiengesellschaft (DE) 2010-08-11 EP disclosed
EP-2216317-A1 Phenyl acetic acid halogenides Bayer CropScience AG (DE) 2010-08-11 EP disclosed