SCHEMBL27548748

SCHEMBL27548748

CCCCc1cc2ccccc2c(CCCC)c1-c1ccc(-c2ccc(CN)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 10/20 0.44
ESR1 P03372 4/20 0.40
ESR2 Q92731 4/20 0.40
HTR2A P28223 1/20 0.40
TAAR1 Q96RJ0 1/20 0.38
TLR7 Q9NYK1 1/20 0.36
PTPN1 P18031 2/20 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
SCHEMBL27522567 0.87 TLR8 (0.43) TLR8ESR1ESR2HTR2A
SCHEMBL27548858 0.85 ADORA3 (0.42) TLR8ESR1ESR2PTPN1
SCHEMBL27548745 0.85 ESR1 (0.52) TLR8ESR1ESR2
SCHEMBL27548757 0.83 ESR1 (0.53) TLR8ESR1ESR2
SCHEMBL27527656 0.83 ADORA3 (0.43) TLR8ESR1ESR2
SCHEMBL27548853 0.83 ESR2 (0.44) TLR8ESR1ESR2HTR2ATAAR1
SCHEMBL27523677 0.80 ADORA3 (0.46) TLR8ESR1ESR2
SCHEMBL27548862 0.80 TSHR (0.42) TLR8ESR1ESR2HTR2A
SCHEMBL27550312 0.79 GCGR (0.46) TLR8ESR1ESR2HTR2A
SCHEMBL27747975 0.76 TAAR1 (0.47) TLR8ESR1ESR2TAAR1

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
CN-1291958-C Naphthacridine derivative and liquid crystal composite containing it DAINIPPON INK CHEMICAL IND CO (JP) 2006-12-27 CN disclosed