SCHEMBL7722912

SCHEMBL7722912

CCCC[C@H]1CC[C@H]([C@H]2CC[C@H](CCc3ccc(C(F)(F)Oc4ccc(C(F)(F)F)cc4)cc3)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.41
SLC6A5 Q9Y345 1/20 0.36
TEAD1 P28347 2/20 0.35
ALOX5 P09917 3/20 0.35
HRH3 Q9Y5N1 1/20 0.34
PTGES O14684 2/20 0.34
PPARG P37231 2/20 0.34
PSEN1 P49768 1/20 0.34
PPARA Q07869 2/20 0.34
PPARD Q03181 1/20 0.34
LSS P48449 1/20 0.34
PLG P00747 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 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
SCHEMBL7722910 1.00 MAOB (0.41) MAOBSLC6A5TEAD1ALOX5HRH3
SCHEMBL7722905 1.00 MAOB (0.41) MAOBSLC6A5TEAD1ALOX5HRH3
SCHEMBL7731426 0.97 MAOB (0.40) MAOBSLC6A5TEAD1ALOX5PPARA
SCHEMBL7731421 0.97 MAOB (0.40) MAOBSLC6A5TEAD1ALOX5PPARA
SCHEMBL7731430 0.97 MAOB (0.40) MAOBSLC6A5TEAD1ALOX5PPARA
SCHEMBL7729917 0.96 MAOB (0.43) MAOBSLC6A5ALOX5HRH3PTGES
SCHEMBL7729913 0.96 MAOB (0.43) MAOBSLC6A5ALOX5HRH3PTGES
SCHEMBL7731331 0.93 TSHR (0.37) MAOBALOX5HRH3PPARG
SCHEMBL7731322 0.93 TSHR (0.37) MAOBALOX5HRH3PPARG
SCHEMBL7731338 0.93 TSHR (0.37) MAOBALOX5HRH3PPARG

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
EP-0786445-B1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORP (JP) 2002-07-17 EP disclosed