SCHEMBL23965831

SCHEMBL23965831

CC(C)(C)[Si](C)(C)Oc1c(-c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)oc2cc(OCc3ccccc3)cc(O)c2c1=O

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 2/20 0.59
ADORA3 P0DMS8 1/20 0.52
ABCG2 Q9UNQ0 3/20 0.50
ABCB1 P08183 3/20 0.50
ABCC1 P33527 2/20 0.50
PPARG P37231 1/20 0.48
MAPT P10636 1/20 0.48
POLB P06746 1/20 0.46
PLG P00747 1/20 0.45
NOX4 Q9NPH5 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL23965813 0.93 PPARG (0.54) ACE2ADORA3PPARGPLGL3MBTL1
SCHEMBL17358238 0.92 ACE2 (0.52) ACE2ADORA3ABCG2ABCB1ABCC1
SCHEMBL1421560 0.88 ACE2 (0.69) ACE2ADORA3ABCG2ABCB1ABCC1
SCHEMBL17358237 0.86 PPARG (0.47) ACE2ADORA3PPARGMAPTPLG
SCHEMBL25308089 0.84 ACE2 (0.68) ACE2ADORA3ABCG2ABCB1ABCC1
SCHEMBL25299409 0.84 ACE2 (0.73) ACE2ADORA3ABCG2ABCB1ABCC1
SCHEMBL1144672 0.84 ACE2 (0.59) ACE2ADORA3ABCG2ABCB1ABCC1
SCHEMBL3649416 0.83 ACE2 (0.58) ACE2ADORA3ABCG2ABCB1ABCC1
SCHEMBL14254531 0.83 ACE2 (0.59) ACE2ADORA3ABCB1PPARGMAPT
SCHEMBL25307903 0.83 ACE2 (0.66) ACE2ADORA3ABCG2ABCB1ABCC1

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
EP-2948437-B1 APPROACH FOR SYNTHESIS OF CATECHINS EPIRIUM BIO INC (US) 2021-11-03 EP disclosed