SCHEMBL9656338

SCHEMBL9656338

CC(C)=C1CC(=O)N(c2ccc(Cl)c(OC(C)C)c2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CCR1 P32246 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RORC P51449 1/20 0.35
PTGDR Q13258 4/20 0.35
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
MAP2 P11137 1/20 0.33
KMO O15229 1/20 0.33
CYP11B2 P19099 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 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
SCHEMBL9653027 0.89 RXRA (0.38) ALDH1A1MAPTKDM4E
SCHEMBL9655645 0.89 PTGDR (0.39) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL9655570 0.88 ALDH1A1 (0.35) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL9656287 0.88 ALDH1A1 (0.37) ALDH1A1MAPTKDM4ECCR1MEN1
SCHEMBL9656142 0.87 RORC (0.42) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL9655541 0.87 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL9655555 0.86 LMNA (0.45) ALDH1A1MAPTKDM4ECCR1MEN1
SCHEMBL9655607 0.85 PPOX (0.44) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL9652944 0.85 ALDH1A1 (0.37) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL9652874 0.84 HPGD (0.39) ALDH1A1MAPTKDM4EMEN1KMT2A

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-0190755-B1 AN N-SUBSTITUTED-PHENYLTERACONIMIDE COMPOUND, HERBICIDAL COMPOSITION, AND METHOD FOR THE DESTRUCTION OF UNDESIRABLE WEEDS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1992-06-17 EP disclosed
US-4964905-A N-substituted-phenylteraconimide compound, herbicidal composition, and method for the destruction of undesirable weeds ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1990-10-23 US disclosed
EP-0190755-A2 An n-substituted-phenylteraconimide compound, herbicidal composition, and method for the destruction of undesirable weeds Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1986-08-13 EP disclosed