SCHEMBL13328259

SCHEMBL13328259

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

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 11/20 0.41
ACACA Q13085 11/20 0.41
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
THRB P10828 1/20 0.34
HTT P42858 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL13070822 0.91 ACACB (0.48) ACACBACACA
SCHEMBL13096248 0.90 ACACB (0.39) ACACBACACAALDH1A1THRBHTT
SCHEMBL12724985 0.89 ACACB (0.46) ACACBACACAKDM4EALDH1A1
SCHEMBL13071296 0.89 ACACB (0.42) ACACBACACA
SCHEMBL13070875 0.88 ACACB (0.37) ACACBACACAALDH1A1HTTMAPK1
SCHEMBL13255226 0.88 ACACB (0.39) ACACBACACA
SCHEMBL14290138 0.87 ACACB (0.40) ACACBACACATHRBHTTL3MBTL1
SCHEMBL14129223 0.82 ACACB (0.45) ACACBACACATSHR
SCHEMBL13096250 0.82 ACACB (0.50) ACACBACACA
SCHEMBL13070828 0.81 KMT2A (0.33) ACACBACACAALDH1A1

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
US-7718186-B2 2-alkoxy-6-alkylphenyl-substituted spirocyclic tetramic acid derivatives BAYER CROPSCIENCE AG (DE) 2010-05-18 US disclosed