SCHEMBL13108014

SCHEMBL13108014

Cc1ccc(N(c2ccc(-c3ccc(/C=C/c4ccccc4)cc3)cc2)c2ccc(-c3ccc(/C=C/c4cc(OCCC(C)CCCC(C)C)c(/C=C/c5ccccc5)cc4C)cc3)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.32
PPARA Q07869 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.31
TLR8 Q9NR97 1/20 0.31
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
RXRA P19793 1/20 0.30
LNPEP Q9UIQ6 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
SCHEMBL14252314 0.93 CYP1A1 (0.35) PPARDPPARACTDSP1
SCHEMBL13805746 0.91 CYP1A1 (0.35) PPARDPPARATLR8
SCHEMBL12355602 0.90 CYP1A1 (0.37) CTDSP1TLR8
SCHEMBL6364547 0.90 CYP1A1 (0.37) CTDSP1TLR8
SCHEMBL13108019 0.89 CTDSP1 (0.30) CTDSP1TLR8
SCHEMBL13108009 0.86 CTDSP1 (0.33) PPARDPPARACTDSP1TLR8NFKB1
SCHEMBL13108020 0.86 CYSLTR2 (0.34) PPARA
SCHEMBL13431246 0.86 TUBB1 (0.37) RELA
SCHEMBL13805742 0.85 HMGCR (0.33)
SCHEMBL13322008 0.85 CYP1A1 (0.34) RELA

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
US-7816674-B2 Organic thin-film transistor RICOH COMPANY, LTD. (JP) 2010-10-19 US disclosed