SCHEMBL6003379

SCHEMBL6003379

CCCC([C]c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.41
LMNA P02545 2/20 0.38
HRH1 P35367 6/20 0.37
HTR2A P28223 5/20 0.37
SIGMAR1 Q99720 1/20 0.35
MIF P14174 1/20 0.35
TAAR1 Q96RJ0 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
KMT2A Q03164 1/20 0.33
RIPK1 Q13546 1/20 0.33

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
SCHEMBL6003386 0.83 LMNA (0.45) AOC3LMNAHRH1HTR2AMIF
SCHEMBL28585299 0.81 AOC3 (0.40) AOC3LMNAHRH1HTR2ASIGMAR1
SCHEMBL953748 0.78 TRPA1 (0.43) AOC3LMNAHRH1HTR2ASIGMAR1
SCHEMBL28799952 0.78 AOC3 (0.42) AOC3LMNAHRH1HTR2ASIGMAR1
SCHEMBL1611605 0.78 AOC3 (0.42) AOC3LMNAHRH1HTR2ASIGMAR1
SCHEMBL142722 0.78 AOC3 (0.42) AOC3LMNAHRH1HTR2ASIGMAR1
SCHEMBL17185720 0.77 AOC3 (0.36) AOC3HTR2A
SCHEMBL15562779 0.75 HTR2A (0.38) AOC3HTR2ASIGMAR1
SCHEMBL15562966 0.73 LMNA (0.34) AOC3LMNAHTR2ASIGMAR1MIF
SCHEMBL15562644 0.72 HTR2A (0.36) AOC3HTR2ASIGMAR1TAAR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7092608-B2 Polyimide optical materials, polyimide precursor solutions and optical waveguide elements KABUSHIKI KAISHA TOSHIBA (JP) 2006-08-15 US disclosed
US-7082244-B2 Polyimide optical materials, polyimide precursor solutions and optical waveguide elements KABUSHIKI KAISHA TOSHIBA (JP) 2006-07-25 US disclosed
US-20060159413-A1 POLYIMIDE OPTICAL MATERIALS, POLYIMIDE PRECURSOR SOLUTIONS AND OPTICAL WAVEGUIDE ELEMENTS KABUSHIKI KAISHA TOSHIBA (JP) 2006-07-20 US disclosed
US-20040197064-A1 Polyimide optical materials, polyimide precursor solutions and optical waveguide elements KABUSHIKI KAISHA TOSHIBA (JP) 2004-10-07 US disclosed