SCHEMBL17945652

SCHEMBL17945652

CC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4ccc5c(c4)oc4c5ccc5oc6ccccc6c54)c4ccccc34)cccc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.38
PRKDC P78527 1/20 0.36
PGR P06401 2/20 0.33
AHR P35869 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
CYP2C19 P33261 1/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HCRTR1 O43613 1/20 0.31
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
IDO1 P14902 1/20 0.30
GGPS1 O95749 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
SCHEMBL17932182 1.00 ALOX5 (0.38) ALOX5PRKDCPGRAHRMEN1
SCHEMBL19109867 0.95 ALOX5 (0.36) ALOX5PRKDCPGRHCRTR1
SCHEMBL24285527 0.91 AHR (0.37) ALOX5PRKDCPGRAHRMEN1
SCHEMBL24519095 0.91 ALOX5 (0.40) ALOX5PRKDCPGRAHRMEN1
SCHEMBL17945380 0.89 PGR (0.37) ALOX5PRKDCPGRAHRMEN1
SCHEMBL19081683 0.89 ARSA (0.32) ALOX5PRKDCKMT2ACYP2C19
SCHEMBL24130419 0.87 HSP90AA1 (0.39) ALOX5PGRAHRMEN1KMT2A
SCHEMBL19109456 0.86 ALOX5 (0.37) ALOX5PRKDCPGRMEN1KMT2A
SCHEMBL24518958 0.85 ALOX5 (0.32) ALOX5PRKDC
SCHEMBL22705858 0.85 ALOX5 (0.40) ALOX5PRKDCPGRAHRMEN1

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