SCHEMBL11273076

SCHEMBL11273076

C=CCOC(=O)Nc1cccc(OC(=O)N(CC)c2ccc(Cl)c(Cl)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 3/20 0.40
HPGD P15428 1/20 0.40
AGPAT2 O15120 1/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
BCHE P06276 2/20 0.39
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 2/20 0.36
FAAH O00519 1/20 0.36
CYP3A4 P08684 1/20 0.36
MTNR1B P49286 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
MTNR1A P48039 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL11265496 0.90 KMT2A (0.45) GAAALDH1A1KMT2AHPGDMAPT
SCHEMBL11269751 0.89 GAA (0.42) GAAALDH1A1KMT2AHPGDAGPAT2
SCHEMBL11431875 0.87 GAA (0.47) GAAALDH1A1KMT2AHPGDMAPT
SCHEMBL11269610 0.86 GAA (0.44) GAAALDH1A1KMT2AAGPAT2MAPT
SCHEMBL10939996 0.86 HTT (0.47) ALDH1A1KMT2AHPGDMAPTMEN1
SCHEMBL11267914 0.83 GAA (0.40) GAAALDH1A1KMT2AMAPTMEN1
SCHEMBL11256135 0.81 MEN1 (0.46) GAAALDH1A1KMT2AHPGDMAPT
SCHEMBL11267015 0.80 GAA (0.45) GAAALDH1A1KMT2AHPGDMAPT
SCHEMBL11266315 0.79 MEN1 (0.43) GAAALDH1A1KMT2AHPGDAGPAT2
SCHEMBL11254486 0.79 MAPK1 (0.46) GAAALDH1A1KMT2AHPGDAGPAT2

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-4317674-A Diurethanes, process for making the same and selective herbicide composition containing same SCHERING AG (DE) 1982-03-02 US claimed