SCHEMBL17974232

SCHEMBL17974232

c1ccc2c(c1)oc1c(-c3ccc(-c4cccc5c4oc4ccccc45)c4ccccc34)cccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.69
PRKDC P78527 5/20 0.50
PIK3CD O00329 1/20 0.48
PIK3CB P42338 1/20 0.48
AHR P35869 3/20 0.44
GGPS1 O95749 1/20 0.43
ATM Q13315 1/20 0.43
MAOA P21397 3/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
PGAM1 P18669 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL10945864 0.96 ALOX5 (0.68) ALOX5PRKDCPIK3CDPIK3CBAHR
SCHEMBL12996513 0.93 ALOX5 (0.66) ALOX5PRKDCPIK3CDPIK3CBAHR
SCHEMBL5028273 0.93 ALOX5 (0.66) ALOX5PRKDCPIK3CDPIK3CBAHR
SCHEMBL430138 0.93 ALOX5 (0.66) ALOX5PRKDCPIK3CDPIK3CBAHR
SCHEMBL431458 0.93 ALOX5 (0.66) ALOX5PRKDCPIK3CDPIK3CBAHR
SCHEMBL20906827 0.92 ALOX5 (0.61) ALOX5PRKDCPIK3CDPIK3CBAHR
SCHEMBL19651715 0.90 ALOX5 (0.58) ALOX5PRKDCPIK3CDPIK3CBAHR
SCHEMBL16633881 0.89 ALOX5 (0.67) ALOX5PRKDCPIK3CDPIK3CBAHR
SCHEMBL23334103 0.89 ALOX5 (0.58) ALOX5PRKDCPIK3CDPIK3CBAHR
SCHEMBL18820518 0.89 ALOX5 (0.58) ALOX5PRKDCPIK3CDPIK3CBAHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3044286-B1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2018-01-31 EP disclosed
US-20160226001-A1 Organic Electroluminescent Device MERCK PATENT GMBH (DE) 2016-08-04 US disclosed
US-20160226001-A1 Organic Electroluminescent Device MERCK PATENT GMBH (DE) 2016-08-04 US disclosed