SCHEMBL11058952

SCHEMBL11058952

CCCCC(CCC)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C/C=C/C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 4/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GRM8 O00222 1/20 0.33
GRM4 Q14833 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTT P42858 2/20 0.32
KMT2A Q03164 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 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
SCHEMBL11061658 0.91 TDP1 (0.37) GAASMN1; SMN2TDP1ALDH1A1MAPT
SCHEMBL11058374 0.84 MAPT (0.38) GAASMN1; SMN2ALDH1A1MAPT
SCHEMBL8754553 0.84 TDP1 (0.39) GAASMN1; SMN2TDP1ALDH1A1GRM8
SCHEMBL19328780 0.84 TDP1 (0.39) GAASMN1; SMN2TDP1ALDH1A1GRM8
SCHEMBL11058900 0.79 HTT (0.39) GAASMN1; SMN2TDP1ALDH1A1MAPT
SCHEMBL11058974 0.79 HTT (0.39) GAASMN1; SMN2TDP1ALDH1A1MAPT
SCHEMBL11057812 0.77 NR1I2 (0.36) GAAALDH1A1MAPTPOLB
SCHEMBL674958 0.77 TDP1 (0.42) TDP1ALDH1A1
SCHEMBL1852428 0.77 GPR35 (0.48) GAASMN1; SMN2TDP1ALDH1A1MAPT
SCHEMBL1851431 0.74 TDP1 (0.46) GAASMN1; SMN2TDP1ALDH1A1MAPT

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 11 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-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