SCHEMBL7729917

SCHEMBL7729917

CCCCC1CCC(CCc2ccc(C(F)(F)Oc3ccc(C(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.43
SLC6A5 Q9Y345 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
ALOX5 P09917 3/20 0.36
PTGES O14684 2/20 0.36
PPARG P37231 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36
PPARA Q07869 2/20 0.35
PSEN1 P49768 1/20 0.35
PPARD Q03181 1/20 0.35
LSS P48449 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL7729913 1.00 MAOB (0.43) MAOBSLC6A5HRH3ALOX5PTGES
SCHEMBL7722905 0.96 MAOB (0.41) MAOBSLC6A5HRH3ALOX5PTGES
SCHEMBL7722912 0.96 MAOB (0.41) MAOBSLC6A5HRH3ALOX5PTGES
SCHEMBL7722910 0.96 MAOB (0.41) MAOBSLC6A5HRH3ALOX5PTGES
SCHEMBL7730796 0.96 MAOB (0.43) MAOBSLC6A5ALOX5PTGESPPARG
SCHEMBL7730803 0.96 MAOB (0.43) MAOBSLC6A5ALOX5PTGESPPARG
SCHEMBL7731421 0.93 MAOB (0.40) MAOBSLC6A5ALOX5PPARAPPARD
SCHEMBL7731430 0.93 MAOB (0.40) MAOBSLC6A5ALOX5PPARAPPARD
SCHEMBL7731426 0.93 MAOB (0.40) MAOBSLC6A5ALOX5PPARAPPARD
SCHEMBL7731577 0.93 TSHR (0.39) MAOBHRH3ALOX5PPARG

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
EP-0786445-B1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORP (JP) 2002-07-17 EP disclosed
EP-0786508-B1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORP (JP) 2001-01-17 EP disclosed
EP-0786445-A1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1997-07-30 EP disclosed
EP-0786508-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORPORATION (JP) 1997-07-30 EP disclosed