SCHEMBL9517263

SCHEMBL9517263

CCOC(C)Cn1ccc(=O)c(O)c1C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
TP53 P04637 1/20 0.49
CYP2D6 P10635 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM6A O15550 1/20 0.44
KDM4A O75164 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM5C P41229 1/20 0.44
KDM2B Q8NHM5 1/20 0.44
DOHH Q9BU89 1/20 0.44
KDM2A Q9Y2K7 1/20 0.44
APP P05067 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
PKM P14618 1/20 0.39
COMT P21964 2/20 0.39
MAOB P27338 8/20 0.38
TYMP P19971 1/20 0.34

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
SCHEMBL10480777 0.87 PKM (0.54) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL9387565 0.85 KDM4E (0.51) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL9351927 0.81 KDM4E (0.57) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL12949574 0.76 KDM4E (0.55) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL7150863 0.76 KDM4E (0.46) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL5525055 0.76 KDM4E (0.62) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL6949699 0.74 KDM4E (0.53) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL9386339 0.73 KDM4E (0.51) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL8102001 0.73 KDM4E (0.51) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL5085644 0.73 KDM4E (0.58) KDM4ETP53CYP2D6HTTSMN1; SMN2

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-0397409-B1 THE STABILIZATION OF ORGANIC COMPOUNDS BTG INTERNATIONAL LIMITED (GB) 1993-07-21 EP disclosed
US-5185319-A STABILIZATION OF ORGANIC COMPOUNDS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1993-02-09 US disclosed
EP-0397409-A1 The stabilization of organic compounds BTG INTERNATIONAL LIMITED (GB) 1990-11-14 EP disclosed