SCHEMBL11058374

SCHEMBL11058374

CCCCC(CCC)c1cc([N+](=O)[O-])c(C/C=C/C(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
GAA P10253 3/20 0.38
HCAR3 P49019 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 4/20 0.32
ACHE P22303 1/20 0.32
BACE1 P56817 1/20 0.32
ESR1 P03372 1/20 0.32
HPGD P15428 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
SCHEMBL11057812 0.90 NR1I2 (0.36) MAPTGAAHCAR3RXFP1ALDH1A1
SCHEMBL11058952 0.84 GAA (0.37) MAPTGAASMN1; SMN2ALDH1A1
SCHEMBL11341954 0.83 ESR1 (0.36) MAPTGAAHCAR3RXFP1SMN1; SMN2
SCHEMBL11058378 0.79 MAPT (0.39) MAPTGAAHCAR3RXFP1SMN1; SMN2
SCHEMBL11058372 0.79 MAPT (0.39) MAPTGAAHCAR3RXFP1SMN1; SMN2
SCHEMBL674434 0.77 ATG4B (0.44)
SCHEMBL11061658 0.77 TDP1 (0.37) MAPTGAAHCAR3SMN1; SMN2ALDH1A1
SCHEMBL1854320 0.77 ESR1 (0.47) MAPTGAAALDH1A1ESR1HPGD
SCHEMBL1853532 0.74 ALDH1A1 (0.36) MAPTGAAHCAR3SMN1; SMN2ALDH1A1
SCHEMBL1853530 0.74 ALDH1A1 (0.36) 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