SCHEMBL8599573

SCHEMBL8599573

[CH2]c1ccc(OCc2ccc(CC)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.59
RXRB P28702 1/20 0.59
APP P05067 9/20 0.50
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SOD1 P00441 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
KMT2A Q03164 2/20 0.46
MAOB P27338 1/20 0.46
HSP90AA1 P07900 1/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL466371 0.84 MAOB (0.59) APPHRH3NPC1RAB9AMAOB
SCHEMBL6292403 0.84 APP (0.67) APPNPC1RAB9AKMT2AMAOB
SCHEMBL6014765 0.84 APP (0.67) APPNPC1RAB9AKMT2AMAOB
SCHEMBL13929692 0.82 MAOB (0.61) RXRARXRBAPPTDP1L3MBTL1
SCHEMBL15336496 0.82 MAOB (0.61) RXRARXRBAPPTDP1L3MBTL1
SCHEMBL464352 0.82 RXRA (0.66) RXRARXRBAPPL3MBTL1NPC1
SCHEMBL13977985 0.82 APP (0.69) RXRARXRBAPPNPC1RAB9A
SCHEMBL8272576 0.82 RXRA (0.66) RXRARXRBAPPTDP1L3MBTL1
SCHEMBL13952163 0.82 APP (0.69) RXRARXRBAPPNPC1RAB9A
SCHEMBL24629212 0.80 RXRA (0.59) RXRARXRBAPPTDP1L3MBTL1

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
CN-100463917-C Reductive alkylation of glycopeptide antibiotics LILLY CO ELI (US) 2009-02-25 CN disclosed
CN-1244802-A Reductive alkylation of glycopeptide antibiotics LILLY CO ELI (US) 2000-02-16 CN disclosed
WO-1998021952-A1 REDUCING AGENT FOR REDUCTIVE ALKYLATION OF GLYCOPEPTIDE ANTIBIOTICS ELI LILLY AND COMPANY (US) 1998-05-28 WO disclosed