SCHEMBL3693447

SCHEMBL3693447

C=CCc1ccc(OC(C=O)c2ccccc2)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.58
PPARA Q07869 3/20 0.58
PPARG P37231 1/20 0.58
PPARD Q03181 1/20 0.58
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
CYP3A4 P08684 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
PTGS1 P23219 2/20 0.52
HTT P42858 3/20 0.51
KDM4E B2RXH2 3/20 0.51
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
NPC1 O15118 4/20 0.50
RAB9A P51151 3/20 0.50
ALOX5 P09917 1/20 0.48
AR P10275 1/20 0.48

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
SCHEMBL9404982 0.80 ALDH1A1 (0.58) ALDH1A1PPARAPPARGPPARDMEN1
SCHEMBL11400862 0.78 KMT2A (0.50) ALDH1A1MEN1KMT2ACYP3A4HTT
SCHEMBL441966 0.77 KMT2A (0.57) ALDH1A1PPARAPPARGPPARDMEN1
Methyleugenol SCHEMBL28484578 0.77 PPARA (0.81) ALDH1A1PPARAPPARGPPARDMEN1
SCHEMBL21414823 0.77 ALDH1A1 (0.75) ALDH1A1PPARAPPARGPPARDMEN1
Methyleugenol SCHEMBL1869396 0.76 ALDH1A1 (1.00) ALDH1A1PPARAPPARGPPARDMEN1
Methyleugenol SCHEMBL113794 0.76 ALDH1A1 (1.00) ALDH1A1PPARAPPARGPPARDMEN1
Methyleugenol SCHEMBL29376951 0.76 ALDH1A1 (1.00) ALDH1A1PPARAPPARGPPARDMEN1
SCHEMBL21434475 0.76 ALDH1A1 (0.73) ALDH1A1PPARAPPARGPPARDMEN1
SCHEMBL15867159 0.76 ALDH1A1 (0.73) ALDH1A1PPARAPPARGPPARDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1809368-B Compositions and methods for controlling insects TYRATECH INC 2011-02-09 CN disclosed
WO-2010011787-A1 PEST-CONTROL COMPOSITIONS AND METHODS HAVING HIGH TARGET AND LOW NON-TARGET ACTIVITY TYRATECH, INC. (US) 2010-01-28 WO disclosed