SCHEMBL8918010

SCHEMBL8918010

CC(C)OC(O)/C=C\C=CCCCCCCCOCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTT P42858 2/20 0.38
FAAH O00519 2/20 0.37
MMP3 P08254 2/20 0.35
MMP8 P22894 2/20 0.35
MMP9 P14780 1/20 0.35
RCE1 Q9Y256 1/20 0.34
ADRB2 P07550 2/20 0.34
ADRB1 P08588 2/20 0.34
ADRB3 P13945 2/20 0.34
GBA1 P04062 2/20 0.34
UGCG Q16739 2/20 0.34
GBA2 Q9HCG7 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EPHX2 P34913 1/20 0.34
CA1 P00915 1/20 0.33

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
SCHEMBL22534824 0.82 L3MBTL1 (0.50) L3MBTL1TDP1GBA1UGCGGBA2
SCHEMBL8916467 0.81 L3MBTL1 (0.44) L3MBTL1TDP1HTTMMP3MMP8
SCHEMBL6211373 0.76 L3MBTL1 (0.44) L3MBTL1TDP1HTTMMP3MMP8
SCHEMBL6211378 0.76 L3MBTL1 (0.44) L3MBTL1TDP1HTTMMP3MMP8
SCHEMBL10961339 0.76 L3MBTL1 (0.53) L3MBTL1TDP1GBA1UGCGGBA2
SCHEMBL20561263 0.76 L3MBTL1 (0.53) L3MBTL1TDP1GBA1UGCGGBA2
SCHEMBL6211984 0.74 L3MBTL1 (0.44) L3MBTL1TDP1HTTMMP3MMP8
SCHEMBL6211987 0.74 L3MBTL1 (0.44) L3MBTL1TDP1HTTMMP3MMP8
SCHEMBL11895951 0.73 L3MBTL1 (0.51) L3MBTL1TDP1HTTFAAHMMP3
SCHEMBL11895950 0.73 L3MBTL1 (0.51) L3MBTL1TDP1HTTFAAHMMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5656260-A CONSISTS OF (3Z,,6Z)DODECADIENE-12-OLIDE AND 13-METHYL-(3Z,5Z)-13-OLIDE TOGETHER WITH FUNGAL VOLATILE SELECTED FROM 1-OCTEN-3-OL, 3-OCTANOL, 3-METHYLBUTANOL; EFFECTIVE TRAP FOR OKRYZAEPHILUS SURINAMENSIS BETTLE THE MINISTER OF AGRICULTURE FISHERIES AND FOOD IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE U.K. OF GT. BRITAIN AND N. IRELAND (GB) 1997-08-12 US disclosed