SCHEMBL8570863

SCHEMBL8570863

FC(F)(F)COC(OCC(F)(F)F)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.41
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
IDO1 P14902 2/20 0.37
TDO2 P48775 2/20 0.37
CACNA1C Q13936 2/20 0.37
SLC6A3 Q01959 2/20 0.37
CACNA1F O60840 1/20 0.37
CACNA1D Q01668 1/20 0.37
CACNA1S Q13698 1/20 0.37
KCNK2 O95069 1/20 0.37
KCNH2 Q12809 1/20 0.37
HTR2A P28223 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
ACP3 P15309 1/20 0.34
SLC7A5 Q01650 2/20 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
SCHEMBL11813722 0.83 SCN1A (0.46) SLC6A2SLC6A4TSHRIDO1TDO2
SCHEMBL8568338 0.80 HTR2A (0.36) SLC6A2SLC6A4TSHRSLC6A3KCNH2
SCHEMBL8571623 0.78 TSHR (0.37) SLC6A2SLC6A4TSHRSLC6A3KCNH2
SCHEMBL2701320 0.76 CHRNB2 (0.50) TACR1SLC6A2SLC6A4CACNA1CSLC6A3
SCHEMBL14936044 0.76 GSR (0.46) SLC6A2SLC6A4ALDH1A1TSHRCACNA1C
SCHEMBL18078672 0.75 TAAR1 (0.42) TACR1SLC6A2SLC6A4TSHRCACNA1C
SCHEMBL7868183 0.75 SLC6A2 (0.35) TACR1SLC6A2SLC6A4IDO1TDO2
SCHEMBL893601 0.75 PDPK1 (0.44)
SCHEMBL5642476 0.75 PDPK1 (0.44)
SCHEMBL5640880 0.75 PDPK1 (0.44)

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-5728641-A Catalyst component for the polymerization of olefins NIPPON OIL COMPANY, LIMITED (JP) 1998-03-17 US disclosed
US-5556821-A Catalyst component for the polymerization of olefins NIPPON OIL COMPANY, LIMITED (JP) 1996-09-17 US disclosed
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 disclosed