SCHEMBL7730576

SCHEMBL7730576

CC[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 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.45
TAAR1 Q96RJ0 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
SLC6A5 Q9Y345 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
SCHEMBL7730582 1.00 MAOB (0.45) MAOBTAAR1PPARAPPARDMEN1
SCHEMBL7729987 0.96 MAOB (0.43) MAOBTAAR1PPARAPPARDMEN1
SCHEMBL7729996 0.96 MAOB (0.43) MAOBTAAR1PPARAPPARDMEN1
SCHEMBL7729991 0.96 MAOB (0.43) MAOBTAAR1PPARAPPARDMEN1
SCHEMBL7731729 0.92 MAOB (0.45) MAOBTAAR1PPARAPPARDMEN1
SCHEMBL7735492 0.92 TSHR (0.41) MAOB
SCHEMBL7735497 0.92 TSHR (0.41) MAOB
SCHEMBL7731734 0.92 MAOB (0.45) MAOBTAAR1PPARAPPARDMEN1
SCHEMBL7909853 0.91 MAOB (0.40) MAOBPPARA
SCHEMBL7909842 0.91 MAOB (0.40) MAOBPPARA

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-0786508-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORPORATION (JP) 1997-07-30 EP disclosed
EP-0786445-A1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1997-07-30 EP disclosed