SCHEMBL17816844

SCHEMBL17816844

c1ccc(-c2ccc(N(c3ccc4oc5ccc(-c6cccc7c6oc6ccccc67)cc5c4c3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc4-c4ccccc43)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.41
GGPS1 O95749 1/20 0.35
PTGES2 Q9H7Z7 1/20 0.33
PRKDC P78527 1/20 0.33
PLA2G2A P14555 1/20 0.30
PLA2G4A P47712 1/20 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
SCHEMBL25621392 0.97 ALOX5 (0.38) ALOX5GGPS1PTGES2PRKDCPLA2G2A
SCHEMBL25621293 0.94 ALOX5 (0.37) ALOX5GGPS1PTGES2PRKDCPLA2G2A
SCHEMBL19011167 0.93 ALOX5 (0.43) ALOX5GGPS1PTGES2PRKDC
SCHEMBL19167299 0.93 AHR (0.32) ALOX5PLA2G2APLA2G4A
SCHEMBL15213958 0.93 AHR (0.32) ALOX5PLA2G2APLA2G4A
SCHEMBL25621819 0.92 ALOX5 (0.37) ALOX5GGPS1PLA2G2APLA2G4A
SCHEMBL25621816 0.92 ALOX5 (0.37) ALOX5GGPS1PLA2G2APLA2G4A
SCHEMBL16810672 0.92 AHR (0.32) ALOX5PLA2G2APLA2G4A
SCHEMBL15213643 0.92 AHR (0.33) ALOX5PLA2G2APLA2G4A
SCHEMBL17855104 0.92 ALOX5 (0.39) ALOX5GGPS1PTGES2PRKDCPLA2G2A

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-2016087017-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-06-09 WO disclosed