SCHEMBL17620271

SCHEMBL17620271

CCCCOc1cc(O)c2c(=O)c(OCC)c(-c3ccc(OCCCC)c(OCCCC)c3)oc2c1

nearest known ligand 0.83

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 2/20 0.83
ADORA3 P0DMS8 5/20 0.64
POLH Q9Y253 2/20 0.64
ABCG2 Q9UNQ0 3/20 0.56
ABCB1 P08183 2/20 0.56
ABCC1 P33527 2/20 0.56
PTGS1 P23219 1/20 0.53

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
SCHEMBL17620379 0.94 ACE2 (0.94) ACE2ADORA3POLHABCG2ABCB1
SCHEMBL17620268 0.92 ACE2 (0.80) ACE2POLHABCG2ABCB1ABCC1
SCHEMBL17620266 0.91 ACE2 (0.77) ACE2ADORA3POLHABCG2ABCB1
SCHEMBL8737505 0.90 ACE2 (0.79) ACE2ADORA3POLHABCG2ABCB1
SCHEMBL12866149 0.89 ACE2 (0.78) ACE2ADORA3POLHABCG2ABCB1
SCHEMBL13941669 0.89 ACE2 (0.78) ACE2ADORA3POLHABCG2ABCB1
SCHEMBL13076849 0.89 ACE2 (0.78) ACE2ADORA3POLHABCG2ABCB1
SCHEMBL15918780 0.89 ACE2 (0.74) ACE2POLHABCB1
SCHEMBL13081655 0.88 ACE2 (0.74) ACE2ADORA3POLHABCG2ABCB1
SCHEMBL12866476 0.88 ACE2 (0.76) ACE2ADORA3POLHABCG2ABCB1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016041195-A1 FLAVONE GLYCOSIDE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF 贵州百灵企业集团制药股份有限公司 2016-03-24 WO disclosed