SCHEMBL8566512

SCHEMBL8566512

FC(F)(F)COC(Cc1ccccc1)OCC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.41
PPARA Q07869 3/20 0.41
EPHX1 P07099 1/20 0.41
CPA1 P15085 1/20 0.40
TAAR1 Q96RJ0 4/20 0.39
SLC6A2 P23975 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
MAOA P21397 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CYP2A6 P11509 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
CYP1A2 P05177 1/20 0.38
CTRB1 P17538 1/20 0.37
EPHX2 P34913 1/20 0.37
SLC18A2 Q05940 1/20 0.36
ANPEP P15144 1/20 0.36

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
SCHEMBL8570157 0.81 EPHX1 (0.43) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL8569749 0.79 EPHX1 (0.41) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL5052215 0.78 PPARG (0.60) PPARGPPARA
SCHEMBL29186309 0.76 TSHR (0.42)
SCHEMBL3276722 0.73 TSHR (0.52) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL8570863 0.72 TACR1 (0.41) TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL11813722 0.72 SCN1A (0.46) SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL29138026 0.72 SLC6A4 (0.41) PPARGPPARATAAR1SLC6A2SLC6A4
SCHEMBL113325 0.71 TAAR1 (0.48) PPARGPPARAEPHX1TAAR1SLC6A2
SCHEMBL28454905 0.71 TRPA1 (0.48) EPHX1CPA1TAAR1SLC6A2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5744678-A NICKEL COMPOUND, ORGANOPHOSPHORUS COMPOUND, ORGANOALUMINUM COMPOUND, CARBON-HALOGEN COMPOUNDS; CATALYST SELECTIVITY NIPPON OIL CO., LTD. (JP) 1998-04-28 US disclosed
US-5728641-A Catalyst component for the polymerization of olefins NIPPON OIL COMPANY, LIMITED (JP) 1998-03-17 US disclosed
EP-0758563-A1 OLEFIN OLIGOMERIZATION CATALYST AND PROCESS FOR THE PREPARATION OF OLEFIN OLIGOMER USING IT NIPPON OIL COMPANY, LTD. (JP) 1997-02-19 EP disclosed