SCHEMBL27632016

SCHEMBL27632016

OB(O)c1cccc2c1CCc1ccccc1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.41
SETD7 Q8WTS6 1/20 0.41
SRD5A1 P18405 1/20 0.39
SRD5A2 P31213 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PTAFR P25105 1/20 0.38
DYRK1A Q13627 1/20 0.37
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
DRD4 P21917 1/20 0.36
SLC6A2 P23975 1/20 0.36
HRH2 P25021 1/20 0.36
ADRA1D P25100 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR7 P34969 1/20 0.36

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
SCHEMBL10033961 0.83 NPC1 (0.50) CES1SRD5A2NPC1RAB9AADRA2A
SCHEMBL122969 0.75 BCL2L1 (0.50) CES1SRD5A1SRD5A2NPC1RAB9A
SCHEMBL22146817 0.73 PARP1 (0.41) CES1SETD7NPC1RAB9AADRA2A
Dihydrophenanthrene SCHEMBL29404495 0.72 CES1 (0.68) CES1SETD7SRD5A1SRD5A2NPC1
Dihydrophenanthrene SCHEMBL30297028 0.72 CES1 (0.68) CES1SETD7SRD5A1SRD5A2NPC1
Dihydrophenanthrene SCHEMBL155991 0.72 CES1 (0.68) CES1SETD7SRD5A1SRD5A2NPC1
SCHEMBL8941739 0.71 NPC1 (0.40) CES1SETD7SRD5A1SRD5A2NPC1
SCHEMBL17132726 0.71 DRD3 (0.43) NPC1RAB9AADRA2AADRA2BADRA2C
SCHEMBL21722549 0.71 BCL2L1 (0.50) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL1355315 0.71 BCL2L1 (0.55) SIGMAR1

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
CN-101209988-B Phenanthrene derivative and organic light-emitting diode containing phenanthrene derivative IND TECH RES INST 2012-08-29 CN disclosed
CN-101209988-A Phenanthrene derivative and organic light-emitting diode containing phenanthrene derivative IND TECH RES INST (CN) 2008-07-02 CN disclosed
CN-1790771-A Phenanthrene derivative and organic light-emitting diode containing phenanthrene derivative as light-emitting material IND TECH RES INST (CN) 2006-06-21 CN disclosed