SCHEMBL20051775

SCHEMBL20051775

CC1(C)C=Cc2c(ccc3c2OCC(c2ccc(O)cc2OCc2ccccc2)=C3)O1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.52
MGAM O43451 1/20 0.41
BCHE P06276 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTPN1 P18031 3/20 0.39
NPC1 O15118 1/20 0.39
HSP90AA1 P07900 1/20 0.39
RAB9A P51151 1/20 0.39
TTR P02766 1/20 0.39
CYP3A4 P08684 1/20 0.39
HIF1A Q16665 6/20 0.38
ODC1 P11926 1/20 0.38
TLR3 O15455 1/20 0.36

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
SCHEMBL21454465 0.91 TYR (0.44) TYRMGAML3MBTL1NPC1RAB9A
SCHEMBL21254201 0.91 TYR (0.44) TYRMGAMBCHEL3MBTL1HSP90AA1
SCHEMBL21710905 0.90 TYR (0.43) TYRMGAML3MBTL1HSP90AA1CYP3A4
SCHEMBL21240665 0.90 TYR (0.43) TYRMGAML3MBTL1HSP90AA1CYP3A4
SCHEMBL21254281 0.90 L3MBTL1 (0.51) TYRMGAML3MBTL1HSP90AA1CYP3A4
SCHEMBL23017879 0.90 TYR (0.43) TYRMGAML3MBTL1HSP90AA1CYP3A4
SCHEMBL22965187 0.90 TYR (0.43) TYRMGAML3MBTL1HSP90AA1CYP3A4
SCHEMBL21710814 0.90 TYR (0.42) TYRMGAML3MBTL1HSP90AA1CYP3A4
SCHEMBL21240668 0.90 TYR (0.42) TYRMGAML3MBTL1HSP90AA1CYP3A4
SCHEMBL21240664 0.90 TYR (0.42) TYRL3MBTL1HSP90AA1CYP3A4HIF1A

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-2018066872-A1 3-PHENYL-2,3,4,8,9,10-HEXAHYDROPYRANO[2,3-F]CHROMENE DERIVATIVE AND METHOD FOR SYNTHESIZING OPTICAL ISOMER THEREOF 주식회사 글라세움 2018-04-12 WO disclosed