SCHEMBL9941713

SCHEMBL9941713

CCCCCCC=COC(=O)c1ccccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.49
F7 P08709 3/20 0.47
F3 P13726 3/20 0.47
LMNA P02545 3/20 0.47
TSHR P16473 3/20 0.47
ALDH1A1 P00352 1/20 0.47
MMP2 P08253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
ECE1 P42892 1/20 0.46
SGMS1 Q86VZ5 1/20 0.46
SGMS2 Q8NHU3 1/20 0.46
MUS81 Q96NY9 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SAE1 Q9UBE0 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
EPHX2 P34913 3/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL9941712 1.00 NAAA (0.49) NAAAF7F3LMNATSHR
SCHEMBL29356105 0.94 LMNA (0.49) NAAAF7F3LMNATSHR
SCHEMBL404921 0.94 LMNA (0.49) NAAAF7F3LMNATSHR
SCHEMBL3637873 0.94 LMNA (0.49) NAAAF7F3LMNATSHR
SCHEMBL404922 0.94 LMNA (0.49) NAAAF7F3LMNATSHR
SCHEMBL31110234 0.94 LMNA (0.49) NAAAF7F3LMNATSHR
SCHEMBL29483333 0.94 LMNA (0.49) NAAAF7F3LMNATSHR
SCHEMBL27553393 0.91 ALDH1A1 (0.55) F7F3LMNATSHRALDH1A1
SCHEMBL10892009 0.84 ALDH1A1 (0.44) F7F3LMNATSHRALDH1A1
SCHEMBL28034984 0.83 ALDH1A1 (0.58) LMNATSHRALDH1A1KDM4EHSD17B10

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
EP-2651883-B1 PROCESS FOR PREPARING AN ORGANIC SOLUTION OF A DIALKYL PEROXYDICARBONATE SOLVAY (BE) 2015-02-25 EP disclosed
EP-2651883-A1 PROCESS FOR PREPARING AN ORGANIC SOLUTION OF A DIALKYL PEROXYDICARBONATE SOLVAY SA (BE) 2013-10-23 EP disclosed
WO-2012080124-A1 PROCESS FOR PREPARING AN ORGANIC SOLUTION OF A DIALKYL PEROXYDICARBONATE SOLVAY SA (BE) 2012-06-21 WO disclosed