SCHEMBL11058372

SCHEMBL11058372

C/C=C(/C(=O)O)c1c([N+](=O)[O-])cc(C(CCC)CCCC)cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
GAA P10253 2/20 0.39
HCAR3 P49019 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
ESR1 P03372 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
VCAM1 P19320 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 0.31
FBP1 P09467 1/20 0.31

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
SCHEMBL11058378 1.00 MAPT (0.39) MAPTGAAHCAR3SMN1; SMN2ALDH1A1
SCHEMBL11057808 0.89 NR1I2 (0.37) MAPTGAAHCAR3SMN1; SMN2ALDH1A1
SCHEMBL11057818 0.89 NR1I2 (0.37) MAPTGAAHCAR3SMN1; SMN2ALDH1A1
SCHEMBL11058900 0.85 HTT (0.39) MAPTGAASMN1; SMN2ALDH1A1TDP1
SCHEMBL11058974 0.85 HTT (0.39) MAPTGAASMN1; SMN2ALDH1A1TDP1
SCHEMBL11342000 0.82 ESR1 (0.37) MAPTGAAHCAR3SMN1; SMN2ALDH1A1
SCHEMBL11341938 0.82 ESR1 (0.37) MAPTGAAHCAR3SMN1; SMN2ALDH1A1
SCHEMBL1854320 0.79 ESR1 (0.47) MAPTGAAALDH1A1KDM4EESR1
SCHEMBL11058374 0.79 MAPT (0.38) MAPTGAAHCAR3SMN1; SMN2ALDH1A1
SCHEMBL11061659 0.77 TDP1 (0.39) MAPTGAAHCAR3SMN1; SMN2ALDH1A1

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