SCHEMBL12070586

SCHEMBL12070586

C/C=C\c1oc2c(-c3c4ccccc4c(-c4cccc5c4oc4ccccc45)c4ccccc34)cccc2c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
HDAC8 Q9BY41 1/20 0.36
PGR P06401 1/20 0.34
PRKDC P78527 5/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CB P42338 1/20 0.33
GGPS1 O95749 1/20 0.33
ATM Q13315 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP2C19 P33261 1/20 0.32
MAOA P21397 2/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
PTGES2 Q9H7Z7 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
AHR P35869 1/20 0.31

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
SCHEMBL12070585 0.88 ALOX5 (0.36) ALOX5L3MBTL1HDAC8PGRPRKDC
SCHEMBL20363748 0.81 ALOX5 (0.50) ALOX5HDAC8PGRPRKDCPIK3CD
SCHEMBL23046780 0.80 ALOX5 (0.51) ALOX5L3MBTL1HDAC8PGRPRKDC
SCHEMBL9890833 0.80 ALOX5 (0.57) ALOX5PGRPRKDCPIK3CDPIK3CB
SCHEMBL19774355 0.78 ALOX5 (0.50) ALOX5HDAC8PGRPRKDCPIK3CD
SCHEMBL21450759 0.78 ALOX5 (0.56) ALOX5PGRPRKDCPIK3CDPIK3CB
SCHEMBL19546812 0.76 L3MBTL1 (0.58) L3MBTL1MEN1KMT2ACYP2C19MAOA
SCHEMBL9890861 0.76 ALOX5 (0.51) ALOX5HDAC8PGRPRKDCPIK3CD
SCHEMBL22989908 0.75 ALOX5 (0.38) ALOX5HDAC8PGRPRKDCGGPS1
SCHEMBL22854844 0.75 ALOX5 (0.57) ALOX5HDAC8PGRPRKDCPIK3CD

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-2011157790-A1 ORGANIC ELECTRONIC DEVICES COMPRISING A LAYER OF A DIBENZOFURANE COMPOUND AND A 8-HYDROXYQUINOLINOLATO EARTH ALKALINE METAL, OR ALKALI METAL COMPLEX BASF SE (DE) 2011-12-22 WO disclosed