SCHEMBL28834544

SCHEMBL28834544

CCCc1ccccc1OOC(C)(OC)OC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.43
PPARD Q03181 1/20 0.38
HTR1A P08908 2/20 0.38
ADRA2A P08913 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
NISCH Q9Y2I1 1/20 0.38
AR P10275 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
AOC3 Q16853 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
KCNH2 Q12809 1/20 0.35
HRH1 P35367 1/20 0.34
ALOX5 P09917 1/20 0.34
PTGS2 P35354 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL28834518 0.88 PPARA (0.48) TAAR1ALOX5PTGS2
SCHEMBL28952534 0.88 PPARA (0.48) TAAR1ALOX5PTGS2
SCHEMBL28100249 0.86 L3MBTL1 (0.43) TAAR1NISCHAR
SCHEMBL28371461 0.84 TAAR1 (0.43) TAAR1PPARDHTR1AADRA2AADRA2B
SCHEMBL17026716 0.76 TAAR1 (0.48) TAAR1PPARDHTR1AADRA2AADRA2B
SCHEMBL29467401 0.74 TAAR1 (0.67) TAAR1SIGMAR1AOC3KCNH2HRH3
SCHEMBL158584 0.74 TAAR1 (0.67) TAAR1SIGMAR1AOC3KCNH2HRH3
SCHEMBL14670858 0.73 HTR1A (0.42) TAAR1PPARDHTR1AADRA2AADRA2B
SCHEMBL15201535 0.72 TAAR1 (0.64) TAAR1SIGMAR1AOC3KCNH2HRH3
SCHEMBL15201757 0.72 TAAR1 (0.64) TAAR1SIGMAR1AOC3KCNH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106010382-A Optical laminate and liquid crystal display device 住友化学株式会社 2016-10-12 CN disclosed
CN-106010384-A OPTICAL FILM WITH ADHESIVE LAYER AND LIQUID CRYSTAL DISPLAY DEVICE 住友化学株式会社 2016-10-12 CN disclosed