SCHEMBL7731729

SCHEMBL7731729

CCC[C@H]1CC[C@H](CCc2ccc(C(F)(F)Oc3ccc(C(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.45
TAAR1 Q96RJ0 1/20 0.37
GCGR P47871 1/20 0.37
PPARA Q07869 2/20 0.37
PPARD Q03181 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAOA P21397 1/20 0.36
TEAD1 P28347 2/20 0.36
DRD2 P14416 1/20 0.35
DRD3 P35462 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
SCHEMBL7731734 1.00 MAOB (0.45) MAOBTAAR1GCGRPPARAPPARD
SCHEMBL7731820 0.96 MAOB (0.43) MAOBTAAR1GCGRPPARAPPARD
SCHEMBL7731803 0.96 MAOB (0.43) MAOBTAAR1GCGRPPARAPPARD
SCHEMBL7731811 0.96 MAOB (0.43) MAOBTAAR1GCGRPPARAPPARD
SCHEMBL7729917 0.92 MAOB (0.43) MAOBTAAR1PPARAPPARDMEN1
SCHEMBL7729913 0.92 MAOB (0.43) MAOBTAAR1PPARAPPARDMEN1
SCHEMBL7731655 0.92 GCGR (0.41) MAOBGCGRMAOADRD2DRD3
SCHEMBL7730582 0.92 MAOB (0.45) MAOBTAAR1PPARAPPARDMEN1
SCHEMBL7731651 0.92 GCGR (0.41) MAOBGCGRMAOADRD2DRD3
SCHEMBL7730576 0.92 MAOB (0.45) MAOBTAAR1PPARAPPARDMEN1

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