SCHEMBL8718124

SCHEMBL8718124

FC(F)(F)CC(OC(CC(F)(F)F)c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.40
SLC6A2 P23975 5/20 0.40
SLC6A3 Q01959 4/20 0.40
KCNK2 O95069 2/20 0.40
KCNH2 Q12809 2/20 0.40
CACNA1C Q13936 2/20 0.40
SLC7A5 Q01650 6/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
LMNA P02545 4/20 0.37
HRH3 Q9Y5N1 2/20 0.37
NPC1 O15118 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
MTOR P42345 2/20 0.37
RAB9A P51151 2/20 0.37
CYP3A4 P08684 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2A P28223 2/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL8715494 0.80 CHRNB2 (0.37) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL8715450 0.78 CHRNB2 (0.40) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL9057427 0.77 HTR2A (0.46) SLC6A3KCNH2CACNA1CMTORRAB9A
SCHEMBL16506377 0.76 EPHX2 (0.37) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL4131850 0.76 SRC (0.37) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL20818660 0.76 CYP24A1 (0.36) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL6643895 0.75 HTR2A (0.39) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL14936044 0.72 GSR (0.46) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL2701320 0.72 CHRNB2 (0.50) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL9220265 0.71 TSHR (0.44) LMNAMTORRAB9ACYP3A4HTR2A

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-0587440-A2 Catalyst component for the polymerisation of olefins and process for preparing olefin polymers using same NIPPON OIL COMPANY, LIMITED (JP) 1994-03-16 EP claimed
US-5744678-A NICKEL COMPOUND, ORGANOPHOSPHORUS COMPOUND, ORGANOALUMINUM COMPOUND, CARBON-HALOGEN COMPOUNDS; CATALYST SELECTIVITY NIPPON OIL CO., LTD. (JP) 1998-04-28 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
US-5556821-A Catalyst component for the polymerization of olefins NIPPON OIL COMPANY, LIMITED (JP) 1996-09-17 US disclosed