SCHEMBL7091046

SCHEMBL7091046

C1=Cc2cc3c(cc2OC1)OC=CC3

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.35
CYP2B6 P20813 1/20 0.31

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
SCHEMBL22915707 0.77 STS (0.44) STSCYP2B6
SCHEMBL7806995 0.72 STS (0.32) STS
SCHEMBL7806998 0.72 STS (0.32) STS
SCHEMBL28823667 0.72 STS (0.33) STS
SCHEMBL30713667 0.71 STS (0.38) STSCYP2B6
SCHEMBL2087404 0.70 STS (0.40) STSCYP2B6
SCHEMBL13485243 0.69 STS (0.37) STSCYP2B6
SCHEMBL32689451 0.66 STS (0.44) STSCYP2B6
SCHEMBL8404584 0.66 STS (0.40) STSCYP2B6
SCHEMBL12410902 0.66 STS (0.37) STSCYP2B6

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-1156801-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-05-14 EP disclosed
EP-1156801-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2001-11-28 EP disclosed
WO-2000053175-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-09-14 WO disclosed