SCHEMBL11061659

SCHEMBL11061659

CC=C(C(=O)O)c1c(C(CC)CCCCC)cc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
POLB P06746 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
GRM8 O00222 1/20 0.34
GRM4 Q14833 1/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 1/20 0.34
HCAR3 P49019 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ESR1 P03372 1/20 0.33

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
SCHEMBL11061654 1.00 TDP1 (0.39) TDP1HTTKMT2ACA1CA2
SCHEMBL11058900 0.90 HTT (0.39) TDP1HTTKMT2ACA1CA2
SCHEMBL11058974 0.90 HTT (0.39) TDP1HTTKMT2ACA1CA2
SCHEMBL19328778 0.87 TDP1 (0.41) TDP1HTTKMT2ACA1CA2
SCHEMBL8754555 0.87 TDP1 (0.41) TDP1HTTKMT2ACA1CA2
SCHEMBL8754550 0.87 TDP1 (0.41) TDP1HTTKMT2ACA1CA2
SCHEMBL11064694 0.87 TDP1 (0.41) TDP1HTTKMT2ACA1CA2
SCHEMBL11057808 0.85 NR1I2 (0.37) POLBALDH1A1GAAMAPTHCAR3
SCHEMBL11057818 0.85 NR1I2 (0.37) POLBALDH1A1GAAMAPTHCAR3
SCHEMBL1856659 0.80 GPR35 (0.47) TDP1HTTKMT2APOLBALDH1A1

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-4055657-A S-ARYL-N-ALKYL-THIOLCARBAMATES PPG INDUSTRIES, INC. (US) 1977-10-25 US disclosed
US-4055656-A S-ARYL-N-CYCLOALKYLTHIOLCARBAMATES 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