SCHEMBL2356802

SCHEMBL2356802

CC(C)Oc1ccccc1C=O.CNC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
ACHE P22303 1/20 0.58
PTGDR2 Q9Y5Y4 1/20 0.47
LMNA P02545 4/20 0.47
KDM4E B2RXH2 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
IRAK4 Q9NWZ3 1/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SRC P12931 1/20 0.42
AR P10275 1/20 0.42
CYP1A2 P05177 2/20 0.41

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
SCHEMBL177279 0.87 ALDH1A1 (0.55) ALDH1A1ACHEPTGDR2LMNATDP1
SCHEMBL15331058 0.81 LMNA (0.50) ALDH1A1ACHEPTGDR2LMNAKMT2A
Propoxur SCHEMBL7526864 0.79 ALDH1A1 (0.90) ALDH1A1ACHELMNAKDM4ETDP1
SCHEMBL8185048 0.79 KMT2A (0.62) ALDH1A1PTGDR2LMNATDP1KMT2A
SCHEMBL584862 0.79 ALDH1A1 (0.58) ALDH1A1ACHELMNAKDM4ETDP1
SCHEMBL5556230 0.78 PTGDR2 (0.50) ALDH1A1PTGDR2LMNATDP1KMT2A
SCHEMBL2554892 0.77 LMNA (0.67) ALDH1A1ACHEPTGDR2LMNAKMT2A
SCHEMBL9723273 0.76 ALDH1A1 (0.52) ALDH1A1PTGDR2LMNAKDM4ETDP1
SCHEMBL15058014 0.76 KMT2A (0.46) ALDH1A1ACHEPTGDR2LMNAKMT2A
SCHEMBL11338676 0.76 PTGDR2 (0.47) ALDH1A1PTGDR2LMNAKDM4ETDP1

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
EP-1697578-B1 COMPOSITION FOR THE IMPREGNATION OF FIBERS, FABRICS AND NETTINGS IMPARTING A PROTECTIVE ACTIVITY AGAINST PESTS BASF SE (DE) 2011-08-31 EP claimed