SCHEMBL22112754

SCHEMBL22112754

CC1(C)OB(c2ccc3oc4c(-c5ccc(C#N)cc5)cccc4c3c2)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.40
LIPG Q9Y5X9 9/20 0.37
LPL P06858 8/20 0.37
ALOX5 P09917 1/20 0.37
TNKS O95271 1/20 0.36
CSF1R P07333 1/20 0.34
EGFR P00533 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
PIM1 P11309 3/20 0.32
ESR2 Q92731 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 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
SCHEMBL22112664 0.88 ALOX5 (0.34) PRKDCLIPGLPLALOX5CSF1R
SCHEMBL21784238 0.87 PRKDC (0.41) PRKDCLIPGLPLALOX5TNKS
SCHEMBL24119079 0.86 LIPG (0.49) PRKDCLIPGLPLALOX5CSF1R
SCHEMBL22737993 0.83 ALOX5 (0.50) PRKDCLIPGLPLALOX5CSF1R
SCHEMBL21396184 0.83 LIPG (0.44) LIPGLPLTNKSESR2
SCHEMBL25852292 0.81 LIPG (0.56) LIPGLPLALOX5CSF1RPIM1
SCHEMBL22065319 0.81 LIPG (0.48) LIPGLPLEGFRPRMT5WDR77
SCHEMBL21302800 0.80 ALOX5 (0.42) PRKDCLIPGLPLALOX5TNKS
SCHEMBL30596099 0.80 LIPG (0.53) PRKDCLIPGLPLALOX5CSF1R
SCHEMBL2291935 0.80 LIPG (0.53) PRKDCLIPGLPLALOX5CSF1R

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-2020122614-A1 ORGANIC COMPOUND, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 두산솔루스 주식회사 2020-06-18 WO disclosed