SCHEMBL8719975

SCHEMBL8719975

FC(F)(F)COCC(OCC(F)(F)F)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TSHR P16473 1/20 0.43
TACR1 P25103 4/20 0.37
KIF11 P52732 2/20 0.33
TRPV6 Q9H1D0 1/20 0.32
PTPN1 P18031 1/20 0.31
CACNA1F O60840 1/20 0.31
CACNA1D Q01668 1/20 0.31
CACNA1S Q13698 1/20 0.31
CACNA1C Q13936 1/20 0.31
FABP7 O15540 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA5A P35218 1/20 0.31
CA9 Q16790 1/20 0.31
MEN1 O00255 1/20 0.30
S1PR2 O95136 1/20 0.30
S1PR4 O95977 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL8714257 0.78 KIF11 (0.34) ALDH1A1TSHRKIF11MAPK1
SCHEMBL8718965 0.77 TSHR (0.38) TSHRKIF11MAPK1
SCHEMBL9078324 0.75 TSHR (0.50) ALDH1A1TSHRTACR1KIF11PTPN1
SCHEMBL5872334 0.75 KIF11 (0.52) ALDH1A1TSHRTACR1KIF11PTPN1
SCHEMBL8566517 0.72 ALDH1A1 (0.46) ALDH1A1TSHRTACR1KIF11PTPN1
SCHEMBL3663151 0.71 MAPK1 (0.40) ALDH1A1TACR1KIF11LMNAMAPK1
SCHEMBL5028917 0.70 TSHR (0.48) ALDH1A1TSHRTACR1KIF11PTPN1
SCHEMBL2701328 0.69 TACR1 (0.51) ALDH1A1TSHRTACR1KIF11CA1
SCHEMBL8719972 0.68 CYP1A2 (0.42) ALDH1A1TSHRTACR1KIF11PTPN1
SCHEMBL8157722 0.67 ALDH1A1 (0.61) ALDH1A1TSHRTACR1CA1CA2

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 2 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
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