SCHEMBL8010305

SCHEMBL8010305

COC(=O)COc1cccc(C(C)(OC)OC)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.46
LMNA P02545 1/20 0.45
FAAH O00519 1/20 0.44
PDK2 Q15119 1/20 0.44
CYSLTR2 Q9NS75 1/20 0.44
CYSLTR1 Q9Y271 1/20 0.44
ACSS2 Q9NR19 1/20 0.43

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
SCHEMBL12993061 0.88 ALDH1A1 (0.51) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL585016 0.84 KDM4E (0.68) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL4076916 0.82 LMNA (0.62) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7044556 0.80 CYP3A4 (0.55) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL31556370 0.78 LMNA (0.72) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7293057 0.78 LMNA (0.72) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11351362 0.76 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9911067 0.76 GAA (0.72) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8019744 0.75 TDP1 (0.47) CYP1A2CYP2C9KMT2AMEN1GAA
SCHEMBL23523217 0.75 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19

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-0975587-A1 OXIME ETHER COMPOUNDS, THEIR USE AND INTERMEDIATES FOR PREPARATIONS OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-02 EP disclosed
WO-1998043949-A1 OXIME ETHER COMPOUNDS, THEIR USE AND INTERMEDIATES FOR PREPARATIONS OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-10-08 WO disclosed