Cinoxate

Cinoxate

SCHEMBL1907002

CCOCCOC(=O)/C=C/c1ccc(OC)cc1.CCOCCOC(=O)/C=C/c1ccc(OC)cc1

nearest known ligand 0.67

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.67
TDP1 Q9NUW8 2/20 0.67
SMN1; SMN2 Q16637 1/20 0.62
GSK3B P49841 1/20 0.56
F3 P13726 2/20 0.55
APP P05067 1/20 0.55
THRB P10828 1/20 0.54
ATM Q13315 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
MAOB P27338 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAPT P10636 1/20 0.52
CASP3 P42574 1/20 0.52

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
Cinoxate SCHEMBL318972 1.00 LMNA (0.67) LMNATDP1SMN1; SMN2GSK3BF3
Cinoxate SCHEMBL15558 1.00 LMNA (0.67) LMNATDP1SMN1; SMN2GSK3BF3
Cinoxate SCHEMBL6851231 1.00 LMNA (0.67) LMNATDP1SMN1; SMN2GSK3BF3
Cinoxate SCHEMBL10337529 0.91 THRB (0.59) LMNATDP1SMN1; SMN2GSK3BAPP
4-Methoxycinnamic Acid SCHEMBL28574899 0.91 THRB (0.59) LMNATDP1SMN1; SMN2GSK3BAPP
4-Methoxycinnamic Acid SCHEMBL28574898 0.91 THRB (0.59) LMNATDP1SMN1; SMN2GSK3BAPP
SCHEMBL28533767 0.89 MAOB (0.56) LMNATDP1SMN1; SMN2APPCA12
SCHEMBL28533768 0.89 MAOB (0.56) LMNATDP1SMN1; SMN2APPCA12
Cinoxate SCHEMBL30139914 0.87 LMNA (0.53) LMNATDP1SMN1; SMN2GSK3BF3
Cinoxate SCHEMBL2565739 0.87 LMNA (0.53) LMNATDP1SMN1; SMN2GSK3BF3

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
EP-2493462-A1 PTEROSTILBENE (PTER) FOR USE IN THE PREVENTION AND/OR TREATMENT OF SKIN DISEASES, DAMAGES OR INJURES Green Molecular, S.L. (ES) 2012-09-05 EP disclosed
WO-2011051483-A1 PTEROSTILBENE (PTER) FOR USE IN THE PREVENTION AND/OR TREATMENT OF SKIN DISEASES, DAMAGES OR INJURES GREEN MOLECULAR, S.L (ES) 2011-05-05 WO disclosed