SCHEMBL11268798

SCHEMBL11268798

C=CCOC(=O)Nc1cccc(OC(=O)N(C)c2ccccc2Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 1/20 0.40
BCHE P06276 2/20 0.40
ACHE P22303 1/20 0.40
AGPAT2 O15120 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPK1 P28482 2/20 0.38
FAAH O00519 1/20 0.38
CYP3A4 P08684 1/20 0.38
LIPE Q05469 1/20 0.38
MAPT P10636 3/20 0.38
CYP1A2 P05177 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 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
SCHEMBL11258607 0.89 GAA (0.46) GAAMEN1KMT2ANPC1BCHE
SCHEMBL11269610 0.88 GAA (0.44) GAAMEN1KMT2ARAB9ANPC1
SCHEMBL11281340 0.85 BCHE (0.51) GAAMEN1KMT2ARAB9ANPC1
SCHEMBL11269751 0.85 GAA (0.42) GAAMEN1KMT2ARAB9ANPC1
SCHEMBL11256135 0.85 MEN1 (0.46) GAAMEN1KMT2ARAB9ANPC1
SCHEMBL11252831 0.85 MEN1 (0.44) GAAMEN1KMT2ARAB9ANPC1
SCHEMBL11252463 0.82 CYP3A4 (0.45) GAAMEN1KMT2ANPC1BCHE
SCHEMBL11254034 0.81 MAPK1 (0.49) GAAMEN1KMT2ANPC1BCHE
SCHEMBL11425816 0.79 GAA (0.46) GAAMEN1KMT2ARAB9ANPC1
SCHEMBL11262507 0.79 GAA (0.45) GAAMEN1KMT2ARAB9ANPC1

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