SCHEMBL11244440

SCHEMBL11244440

CCCCCOC(=O)N(C)C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.47
HCAR2 Q8TDS4 2/20 0.46
EPHX1 P07099 1/20 0.44
ATM Q13315 1/20 0.44
TSHR P16473 5/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FAAH O00519 1/20 0.40
DNM1 Q05193 1/20 0.40
LMNA P02545 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ACHE P22303 2/20 0.39

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
SCHEMBL1852714 0.94 ATM (0.50) NAAAHCAR2EPHX1ATMTSHR
SCHEMBL12807165 0.79 CHRNB2 (0.56) NAAAHCAR2EPHX1ATMTSHR
SCHEMBL8372851 0.78 NAAA (0.57) NAAAHCAR2EPHX1TSHRALDH1A1
SCHEMBL29980053 0.78 NAAA (0.57) NAAAHCAR2EPHX1TSHRALDH1A1
SCHEMBL29979958 0.78 NAAA (0.57) NAAAHCAR2EPHX1TSHRALDH1A1
SCHEMBL25277070 0.78 NAAA (0.57) NAAAHCAR2EPHX1TSHRALDH1A1
SCHEMBL25272656 0.78 NAAA (0.57) NAAAHCAR2EPHX1TSHRALDH1A1
SCHEMBL27915971 0.78 NAAA (0.57) NAAAHCAR2EPHX1TSHRALDH1A1
SCHEMBL5261670 0.77
Acetic Acid Pentyl Ester SCHEMBL28238859 0.77 ALDH1A1 (0.63) NAAAHCAR2EPHX1ATMTSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0090242-A1 N-carboxylated, N-methylated carbamates, process for their preparation and their use as pesticides BAYER AG (DE) 1983-10-05 EP disclosed
EP-0044994-A1 Carboxylated n-methyl-carbamates, their preparation and their use as pesticides BAYER AG (DE) 1982-02-03 EP disclosed