SCHEMBL16631096

SCHEMBL16631096

c1ccc(-c2ccc(N(c3ccccc3)c3cccc(C4(c5cccc6c5oc5ccccc56)c5ccccc5-c5ccccc54)c3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.39
GGPS1 O95749 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
PTGES2 Q9H7Z7 1/20 0.31
PRKDC P78527 1/20 0.31
PLA2G2A P14555 2/20 0.30
PLA2G4A P47712 2/20 0.30

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
SCHEMBL18118724 0.94 ALOX5 (0.38) ALOX5GGPS1PTGES2PRKDC
SCHEMBL16631199 0.93 ALOX5 (0.40) ALOX5GGPS1PTGES2PRKDCPLA2G2A
SCHEMBL23939984 0.93 ALOX5 (0.39) ALOX5GGPS1PTGES2PRKDCPLA2G2A
SCHEMBL18118693 0.93 ALOX5 (0.39) ALOX5GGPS1PTGES2PRKDCPLA2G2A
SCHEMBL16838908 0.92 ALOX5 (0.40) ALOX5GGPS1ESR1ESR2PTGES2
SCHEMBL19530894 0.92 ALOX5 (0.41) ALOX5GGPS1ESR1ESR2PTGES2
SCHEMBL17804771 0.92 ALOX5 (0.43) ALOX5GGPS1ESR1ESR2PTGES2
SCHEMBL19530884 0.92 ALOX5 (0.43) ALOX5GGPS1ESR1ESR2PTGES2
SCHEMBL18326072 0.92 ALOX5 (0.43) ALOX5GGPS1ESR1ESR2PTGES2
SCHEMBL19530883 0.92 ALOX5 (0.43) ALOX5GGPS1ESR1ESR2PTGES2

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-2015050391-A1 AN ORGANIC ELECTROLUMINESCENT COMPOUND AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-04-09 WO disclosed