SCHEMBL13960141

SCHEMBL13960141

CCc1cc(Cl)cc(OC)c1C1=C(C)C(C)(C2CC2)NC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
PLK4 O00444 1/20 0.32
CHEK1 O14757 1/20 0.32
AURKA O14965 1/20 0.32
NTRK1 P04629 1/20 0.32
LCK P06239 1/20 0.32
CDK1 P06493 1/20 0.32
CSF1R P07333 1/20 0.32
PIM1 P11309 1/20 0.32
RPS6KB1 P23443 1/20 0.32
CDK2 P24941 1/20 0.32
MARK3 P27448 1/20 0.32
FLT4 P35916 1/20 0.32
KDR P35968 1/20 0.32
CSNK1D P48730 1/20 0.32
MAPKAPK2 P49137 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
SCHEMBL1901580 0.88 GSK3B (0.35) GSK3BCDK4CCND1ALDH1A1POLB
SCHEMBL13960144 0.83 GSK3B (0.40) GSK3BCDK4CCND1ALDH1A1POLB
SCHEMBL12401985 0.79 ALDH1A1 (0.33) ALDH1A1LMNAKMT2AL3MBTL1HTR2A
SCHEMBL13960143 0.79 ACACB (0.45) GSK3BCDK4CCND1ALDH1A1POLB
SCHEMBL13070828 0.79 KMT2A (0.33) GSK3BCDK4CCND1ALDH1A1ACACB
SCHEMBL13527261 0.76
SCHEMBL1900642 0.75 GSK3B (0.39) GSK3BCDK4CCND1ALDH1A1PLK4
SCHEMBL1153401 0.73 GSK3B (0.36) GSK3BCDK4CCND1ALDH1A1POLB
SCHEMBL12724985 0.73 ACACB (0.46) GSK3BCDK4CCND1ALDH1A1ADAM17
SCHEMBL13244240 0.72 ALDH1A1 (0.31) ALDH1A1LMNAKMT2A

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-2009007014-A1 WATER-SOLUBLE CONCENTRATES OF 3-(2-ALKOXY-4-CHLORO-6-ALKYLPHENYL)-SUBSTITUTED TETRAMATES AND THEIR CORRESPONDING ENOLS BAYER CROPSCIENCE AG (DE) 2009-01-15 WO disclosed