SCHEMBL5547724

SCHEMBL5547724

COC(=O)c1cnc2c[c]ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
PSMD14 O00487 1/20 0.47
MAPK1 P28482 2/20 0.44
HPGDS O60760 10/20 0.44
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ATM Q13315 1/20 0.41
MGAM O43451 1/20 0.40
MAOB P27338 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL28351499 0.88 ALOX15 (0.48) ALOX15HTTPSMD14MAPK1HPGDS
SCHEMBL29505143 0.78 ALOX15 (0.65) ALOX15HTTPSMD14HPGDSKDM4E
SCHEMBL2031896 0.78 ALOX15 (0.65) ALOX15HTTPSMD14HPGDSKDM4E
SCHEMBL10466162 0.76 HTT (0.67) ALOX15HTTPSMD14MAPK1HPGDS
SCHEMBL28946126 0.76 ALOX15 (0.54) ALOX15HTTPSMD14MAPK1HPGDS
SCHEMBL1043657 0.76 HPGDS (0.52) ALOX15HTTPSMD14MAPK1HPGDS
SCHEMBL17221411 0.76 MAOB (0.53) ALOX15HTTPSMD14MAPK1HPGDS
SCHEMBL2899731 0.75 PTPN11 (0.53) ALOX15HTTKDM4EATMALDH1A1
SCHEMBL8890461 0.75 LCK (0.50) ALOX15HTTKDM4EATMALDH1A1
SCHEMBL2001821 0.75 HPGDS (0.51) ALOX15HTTPSMD14MAPK1HPGDS

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-1780211-A2 Vanilloid receptor ligands and their use in treatments Amgen Inc. (US) 2007-05-02 EP disclosed
EP-1775295-A1 Vanilloid receptor ligands and their use in treatments Amgen Inc. (US) 2007-04-18 EP disclosed