SCHEMBL6316002

SCHEMBL6316002

CCOC(=O)c1cc(OCCCCCCOc2ccc(N=Nc3ccc(C#N)cc3)cc2)cc(C(=O)OCC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.47
PPARA Q07869 2/20 0.47
MAPT P10636 5/20 0.47
ALDH1A1 P00352 1/20 0.47
HRH2 P25021 2/20 0.45
HRH1 P35367 2/20 0.45
HRH3 Q9Y5N1 2/20 0.45
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
KMT2A Q03164 1/20 0.43
MCL1 Q07820 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.42
MMP3 P08254 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL6320506 1.00 PPARD (0.47) PPARDPPARAMAPTALDH1A1HRH2
SCHEMBL6411277 0.90 TDP1 (0.47) PPARDPPARAMAPTALDH1A1HRH2
SCHEMBL2993045 0.89 HRH2 (0.56) MAPTALDH1A1HRH2HRH1HRH3
SCHEMBL3971125 0.89 L3MBTL1 (0.50) PPARDPPARAMAPTALDH1A1HRH3
SCHEMBL2998258 0.89 L3MBTL1 (0.50) PPARDPPARAMAPTALDH1A1HRH3
SCHEMBL6413184 0.85 TDP1 (0.58) PPARAMAPTHRH2HRH1HRH3
SCHEMBL13900187 0.84 HRH2 (0.51) MAPTALDH1A1HRH2HRH1HRH3
SCHEMBL7716229 0.83 HDAC1 (0.51) PPARDPPARAMAPTALDH1A1HRH2
SCHEMBL7713959 0.83 HDAC1 (0.51) PPARDPPARAMAPTALDH1A1HRH2
SCHEMBL13900185 0.83 L3MBTL1 (0.45) PPARDPPARAMAPTALDH1A1HRH3

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
US-20050265134-A1 Optical recording material, optical recording medium and optical recording/reproducing device FUJI XEROX CO., LTD. (JP) 2005-12-01 US disclosed
US-20050228153-A1 Optical recording material, optical recording medium and optical recording/reproducing device FUJI XEROX CO. LTD. 2005-10-13 US disclosed
US-20050208387-A1 Optical recording material, optical recording medium and optical recording/reproducing apparatus FUJI XEROX CO., LTD. (JP) 2005-09-22 US disclosed