SCHEMBL21784238

SCHEMBL21784238

CC1(C)OB(c2cccc(-c3cccc4c3oc3c(-c5ccc(C#N)cc5)cccc34)c2)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.41
LIPG Q9Y5X9 8/20 0.39
LPL P06858 7/20 0.39
TNKS O95271 1/20 0.35
ALOX5 P09917 1/20 0.33
TDP2 O95551 2/20 0.33
ALDH1A1 P00352 2/20 0.32
ATM Q13315 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
KDM1A O60341 1/20 0.31
PGR P06401 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
SCHEMBL16560562 0.87 LIPG (0.37) PRKDCLIPGLPLALOX5
SCHEMBL31435020 0.87 LIPG (0.49) PRKDCLIPGLPLALOX5ALDH1A1
SCHEMBL21425301 0.87 LIPG (0.49) PRKDCLIPGLPLALOX5ALDH1A1
SCHEMBL22112754 0.87 PRKDC (0.40) PRKDCLIPGLPLTNKSALOX5
SCHEMBL15301291 0.83 LIPG (0.53) LIPGLPLTDP2PGR
SCHEMBL16560563 0.80 LIPG (0.44) PRKDCLIPGLPL
SCHEMBL18090639 0.80 LIPG (0.41) LIPGLPLALOX5
SCHEMBL3862058 0.80 ALOX5 (0.51) PRKDCLIPGLPLALOX5ATM
SCHEMBL21784286 0.79 LIPG (0.64) LIPGLPLALOX5
SCHEMBL21425369 0.79 LIPG (0.60) PRKDCLIPGLPLALOX5

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-2020045822-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DIODE USING SAME 두산솔루스 주식회사 2020-03-05 WO disclosed