SCHEMBL22754654

SCHEMBL22754654

COc1c(/C=C/C(=O)c2ccc(OCc3ccccc3)cc2OCc2ccccc2)ccc(O)c1C

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.57
HDAC8 Q9BY41 1/20 0.53
PTPN1 P18031 1/20 0.52
ALOX5 P09917 2/20 0.51
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK1 P28482 1/20 0.50
CAPN1 P07384 1/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CHRNA7 P36544 2/20 0.48
MAOB P27338 1/20 0.48
CYSLTR2 Q9NS75 1/20 0.47
CYSLTR1 Q9Y271 1/20 0.47

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
SCHEMBL22754637 0.93 HDAC8 (0.57) APPHDAC8PTPN1ALOX5MAPT
SCHEMBL12541741 0.91 ALOX5 (0.56) APPHDAC8PTPN1ALOX5MAPT
SCHEMBL12541737 0.91 ALOX5 (0.56) APPHDAC8PTPN1ALOX5MAPT
SCHEMBL12542012 0.84 HDAC8 (0.58) APPHDAC8PTPN1ALOX5MAPT
SCHEMBL12542009 0.84 HDAC8 (0.58) APPHDAC8PTPN1ALOX5MAPT
SCHEMBL7100642 0.84 APP (0.59) APPHDAC8PTPN1ALOX5MAPT
SCHEMBL12695586 0.83 HDAC8 (0.48) APPHDAC8PTPN1ALOX5MAPT
SCHEMBL12695565 0.83 CHRNA7 (0.50) APPHDAC8PTPN1ALOX5MAPT
SCHEMBL7751094 0.83 HDAC8 (0.62) APPHDAC8PTPN1MAPTMEN1
SCHEMBL7751091 0.83 HDAC8 (0.62) APPHDAC8PTPN1MAPTMEN1

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-2688860-B1 COMPOUNDS AND METHODS FOR PREPARATION OF DIARYLPROPANES UNIGEN INC (US) 2020-12-09 EP disclosed