SCHEMBL7198085

SCHEMBL7198085

CC=CC(=O)Oc1c(CCCCCC(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.39
ALDH1A1 P00352 5/20 0.35
GAA P10253 1/20 0.34
LMNA P02545 3/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FUT7 Q11130 1/20 0.32
HTT P42858 2/20 0.32
NPC1 O15118 2/20 0.32
MITF O75030 1/20 0.32
CCR6 P51684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.31
CYP1A2 P05177 1/20 0.30

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
SCHEMBL7198081 1.00 TDP1 (0.39) TDP1ALDH1A1GAALMNAMAPT
SCHEMBL906419 0.88 TDP1 (0.44) TDP1ALDH1A1LMNAKMT2APOLB
SCHEMBL874774 0.88 TDP1 (0.44) TDP1ALDH1A1LMNAKMT2APOLB
SCHEMBL29359044 0.85 TDP1 (0.47) TDP1ALDH1A1GAALMNAMAPT
SCHEMBL5933992 0.85 TDP1 (0.47) TDP1ALDH1A1GAALMNAMAPT
SCHEMBL13186231 0.82 TDP1 (0.44) TDP1ALDH1A1LMNAMAPTKMT2A
SCHEMBL20451 0.78 TDP1 (0.53) TDP1ALDH1A1GAALMNAKMT2A
SCHEMBL676763 0.78 TDP1 (0.53) TDP1ALDH1A1GAALMNAKMT2A
SCHEMBL29608839 0.78 TDP1 (0.53) TDP1ALDH1A1GAALMNAKMT2A
SCHEMBL28267478 0.78 TDP1 (0.64) TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000062792-A2 COMPOSITIONS AND METHODS FOR CONTROLLING PESTS INSECT BIOTECHNOLOGY, INC. (US) 2000-10-26 WO claimed
US-6593299-B1 Applying to a pest-inhabited locus of the geographical area the pesticidal peptide Tyr-Asp-Pro-Ala-Phe and applying a pest attractant and in the proximity of the pesticidal composition such that pests are attracted to it UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2003-07-15 US disclosed
WO-2000062792-A2 COMPOSITIONS AND METHODS FOR CONTROLLING PESTS INSECT BIOTECHNOLOGY, INC. (US) 2000-10-26 WO disclosed