SCHEMBL11061658

SCHEMBL11061658

CCCCCC(CC)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C/C=C/C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 2/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
GRM8 O00222 1/20 0.33
GRM4 Q14833 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HCAR3 P49019 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL11058952 0.91 GAA (0.37) TDP1SMN1; SMN2GAAPOLBALDH1A1
SCHEMBL8754553 0.88 TDP1 (0.39) TDP1SMN1; SMN2GAAALDH1A1CYSLTR2
SCHEMBL19328780 0.88 TDP1 (0.39) TDP1SMN1; SMN2GAAALDH1A1CYSLTR2
SCHEMBL11057812 0.85 NR1I2 (0.36) GAAPOLBALDH1A1HCAR3MAPT
SCHEMBL11061659 0.80 TDP1 (0.39) TDP1SMN1; SMN2GAAPOLBALDH1A1
SCHEMBL11061654 0.80 TDP1 (0.39) TDP1SMN1; SMN2GAAPOLBALDH1A1
SCHEMBL674958 0.78 TDP1 (0.42) TDP1ALDH1A1
SCHEMBL1856659 0.77 GPR35 (0.47) TDP1SMN1; SMN2POLBALDH1A1GRM8
SCHEMBL11058374 0.77 MAPT (0.38) SMN1; SMN2GAAALDH1A1HCAR3MAPT
SCHEMBL11341954 0.76 ESR1 (0.36) SMN1; SMN2GAAGRM8GRM4HCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4442092-A APPLYING TO SOILS GREENBELT DEHYDRATING CO., INC. 1984-04-10 US disclosed
US-4282168-A FUNGICIDES PPG INDUSTRIES, INC. (US) 1981-08-04 US disclosed
US-4213915-A FUNGICIDES, NEMATOCIDES PPG INDUSTRIES, INC. (US) 1980-07-22 US disclosed
US-4132800-A NEMATOCIDES FOR PLANTS PPG INDUSTRIES, INC. (US) 1979-01-02 US disclosed
US-4132801-A Control of plant fungi with S-p-methoxyphenyl N-2,3-dibromopropylthiolcarbamate PPG INDUSTRIES, INC. (US) 1979-01-02 US disclosed
US-4120886-A APHIDICIDES PPG INDUSTRIES, INC. (US) 1978-10-17 US disclosed
US-4117155-A APPLYING FUNGICIDE TO SOIL PPG INDUSTRIES, INC. (US) 1978-09-26 US disclosed
US-4075006-A PESTICIDES, NEMATOCIDES, FUNGICIDES PPG INDUSTRIES, INC. (US) 1978-02-21 US disclosed
US-4059609-A HERBICIDE, NEMATOCIDE, FUNGICIDE PPG INDUSTRIES, INC. (US) 1977-11-22 US disclosed
US-4056549-A PLANT PESTICIDE PPG INDUSTRIES, INC. (US) 1977-11-01 US disclosed
US-4055656-A S-ARYL-N-CYCLOALKYLTHIOLCARBAMATES PPG INDUSTRIES, INC. (US) 1977-10-25 US disclosed
US-4055657-A S-ARYL-N-ALKYL-THIOLCARBAMATES PPG INDUSTRIES, INC. (US) 1977-10-25 US disclosed
US-4046912-A S-p-Methoxyphenyl N-2,3-dibromopropylthiolcarbamate and its use in the control of plant nematodes PPG INDUSTRIES, INC. (US) 1977-09-06 US disclosed