SCHEMBL12284774

SCHEMBL12284774

CCCCCCCCCCCCCCn1c2ccc(C)cc2c2cc(C)ccc21

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORA P35398 3/20 0.61
RORC P51449 3/20 0.61
RORB Q92753 3/20 0.61
PGR P06401 1/20 0.61
TLR8 Q9NR97 2/20 0.55
PSEN1 P49768 5/20 0.54
PSEN2 P49810 5/20 0.54
APH1B Q8WW43 5/20 0.54
NCSTN Q92542 5/20 0.54
APH1A Q96BI3 5/20 0.54
PSENEN Q9NZ42 5/20 0.54
CNR2 P34972 8/20 0.49
SIRT2 Q8IXJ6 2/20 0.46
SIRT1 Q96EB6 2/20 0.46

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
SCHEMBL804880 1.00 RORA (0.61) RORARORCRORBPGRTLR8
SCHEMBL14261677 1.00 RORA (0.61) RORARORCRORBPGRTLR8
SCHEMBL12593202 1.00 RORA (0.61) RORARORCRORBPGRTLR8
SCHEMBL13503151 1.00 RORA (0.61) RORARORCRORBPGRTLR8
SCHEMBL15396934 1.00 RORA (0.61) RORARORCRORBPGRTLR8
SCHEMBL12593203 0.98 RORA (0.63) RORARORCRORBPGRTLR8
SCHEMBL13125230 0.97 RORA (0.58) RORARORCRORBPGRTLR8
SCHEMBL6365787 0.94 RORA (0.56) RORARORCRORBPGRTLR8
SCHEMBL14029768 0.94 PGR (0.56) RORARORCRORBPGRTLR8
SCHEMBL12374352 0.93 RORA (0.69) RORARORCRORBPGRTLR8

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-2011120508-A1 CATALYSTS FOR ALKYNE METATHESIS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2011-10-06 WO disclosed