SCHEMBL21622851

SCHEMBL21622851

CC1(C)c2ccccc2-c2ccc(-c3cccc4c3oc3c(Br)cccc34)cc21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.39
PDK2 Q15119 10/20 0.33
PRKDC P78527 2/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
PTGES2 Q9H7Z7 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL23327447 0.91 ALOX5 (0.37) ALOX5PDK2MAOAMAOB
SCHEMBL21428301 0.90 ALOX5 (0.39) ALOX5PDK2PRKDCMAOAMAOB
SCHEMBL1637339 0.89 ALOX5 (0.43) ALOX5PDK2PRKDC
SCHEMBL17381088 0.86 ALOX5 (0.37) ALOX5PDK2PRKDCMAOAMAOB
SCHEMBL17057187 0.86 PDK2 (0.42) ALOX5PDK2PRKDC
SCHEMBL15678638 0.85 PRKDC (0.32) ALOX5PRKDC
SCHEMBL14476531 0.85 ALOX5 (0.39) ALOX5PDK2PRKDC
SCHEMBL23441898 0.85 AHR (0.41) ALOX5PDK2PRKDCRAB9A
SCHEMBL1636918 0.84 ALOX5 (0.47) ALOX5PDK2PRKDCPTGES2
SCHEMBL12324541 0.84 ALOX5 (0.57) ALOX5PDK2PRKDCPTGES2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3820965-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-01-25 EP disclosed
WO-2020011658-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-01-16 WO disclosed