SCHEMBL17944151

SCHEMBL17944151

c1ccc2cc3c(cc2c1)oc1c(-c2ccc4c(c2)sc2cc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)ccc24)cccc13

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.40
PRKDC P78527 3/20 0.35
PSD A5PKW4 1/20 0.34
PTGES2 Q9H7Z7 1/20 0.31
GGPS1 O95749 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MCL1 Q07820 1/20 0.31

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
SCHEMBL17944789 0.92 ALOX5 (0.41) ALOX5PRKDCPTGES2GGPS1MCL1
SCHEMBL17944324 0.89 PSD (0.35) PRKDCPSDKDM4EALDH1A1CYP1A2
SCHEMBL19080210 0.89 CYP1A1 (0.32) ALOX5PSD
SCHEMBL17932013 0.89 ALOX5 (0.46) ALOX5PRKDCPSDPTGES2GGPS1
SCHEMBL17945176 0.88 ALOX5 (0.45) ALOX5PRKDCPSDGGPS1KDM4E
SCHEMBL17944147 0.88 PSD (0.34) PSDKDM4EALDH1A1CYP1A2CYP2C19
SCHEMBL17943947 0.87 ALOX5 (0.37) ALOX5PRKDCKDM4EALDH1A1CYP1A2
SCHEMBL17944101 0.87 ALOX5 (0.43) ALOX5PRKDCPSDPTGES2GGPS1
SCHEMBL17944792 0.87 ALOX5 (0.38) ALOX5PRKDCPSDALDH1A1CYP1A2
SCHEMBL17932014 0.86 ALOX5 (0.44) ALOX5PRKDCPSDPTGES2GGPS1

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
US-20160218297-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-28 US disclosed
US-20160218297-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-28 US disclosed