SCHEMBL12698455

SCHEMBL12698455

C1=Cc2oc3c(-c4cccc5c6ccccc6c6cccc(-c7cccc8c7oc7ccccc78)c6c45)cccc3c2CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.42
▸ PRKDC P78527 5/20 0.37
▸ PIK3CD O00329 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ ATM Q13315 1/20 0.34
▸ CDC25A P30304 1/20 0.33
▸ CDC25B P30305 1/20 0.33
▸ CDC25C P30307 1/20 0.33
▸ CCNC P24863 1/20 0.32
▸ CDK8 P49336 1/20 0.32
▸ GGPS1 O95749 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.31
▸ AVPR1A P37288 1/20 0.30
▸ PRMT5 O14744 1/20 0.30
▸ WDR77 Q9BQA1 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
SCHEMBL8547168 0.84 ALOX5 (0.40) ALOX5PRKDCPIK3CDPIK3CBATM
SCHEMBL13052388 0.82 ALOX5 (0.47) ALOX5PRKDCPIK3CDPIK3CBATM
SCHEMBL12418974 0.81 ALOX5 (0.40) ALOX5PRKDCPIK3CDPIK3CBCDC25A
SCHEMBL12419234 0.81 ALOX5 (0.41) ALOX5PRKDCPIK3CDPIK3CBATM
SCHEMBL15164538 0.81 ALOX5 (0.58) ALOX5PRKDCPIK3CDPIK3CBATM
SCHEMBL24443021 0.80 PRKDC (0.36) ALOX5PRKDCPIK3CDPIK3CBATM
SCHEMBL20615293 0.80 PRKDC (0.36) ALOX5PRKDCPIK3CDPIK3CBATM
SCHEMBL13050915 0.79 ALOX5 (0.44) ALOX5PRKDCPIK3CDPIK3CBATM
SCHEMBL22622635 0.78 ALOX5 (0.41) ALOX5PRKDCPIK3CDPIK3CBATM
SCHEMBL22622655 0.78 ALOX5 (0.41) ALOX5PRKDCPIK3CDPIK3CBATM

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-2012048781-A1 TRIPHENYLENE-BASED MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-04-19 — — WO disclosed
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