SCHEMBL19933541

SCHEMBL19933541

CC1(C)c2ccccc2-c2c(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc(-c5cccc6c5oc5ccccc56)c4)cc3)cccc21

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.43
GGPS1 O95749 1/20 0.36
PTGES2 Q9H7Z7 1/20 0.34
PRKDC P78527 1/20 0.34
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
FNTA P49354 1/20 0.30
FNTB P49356 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
SCHEMBL24155998 0.98 ALOX5 (0.45) ALOX5GGPS1PTGES2PRKDCPRMT5
SCHEMBL16858178 0.95 ALOX5 (0.42) ALOX5GGPS1PTGES2PRKDCFNTA
SCHEMBL21446123 0.93 ALOX5 (0.42) ALOX5GGPS1PTGES2PRKDCPRMT5
SCHEMBL23376477 0.93 ALOX5 (0.42) ALOX5GGPS1PTGES2PRKDCPRMT5
SCHEMBL22480605 0.93 ALOX5 (0.41) ALOX5GGPS1PTGES2PRKDC
SCHEMBL26600362 0.93 ALOX5 (0.41) ALOX5GGPS1PTGES2PRKDC
SCHEMBL26060460 0.92 ALOX5 (0.42) ALOX5GGPS1PTGES2PRKDCPRMT5
SCHEMBL22480603 0.92 ALOX5 (0.41) ALOX5GGPS1PTGES2PRKDC
SCHEMBL21102584 0.92 ALOX5 (0.42) ALOX5GGPS1PTGES2PRKDCPRMT5
SCHEMBL16802139 0.92 ALOX5 (0.44) ALOX5GGPS1PTGES2PRKDC

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-2018041769-A1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-03-08 WO disclosed