SCHEMBL9570810

SCHEMBL9570810

OCC(c1ccc(OC(F)(F)F)cc1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 3/20 0.42
EPHX2 P34913 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
MAOB P27338 1/20 0.39
AOC3 Q16853 1/20 0.39
EPHX1 P07099 1/20 0.38
LMNA P02545 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
SLC7A5 Q01650 2/20 0.38
SCN9A Q15858 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
MEN1 O00255 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
SCHEMBL9862495 1.00 PDE2A (0.44) PDE2AALDH1A1MAPTEPHX2ESR1
SCHEMBL9570776 0.85 ALDH1A1 (0.42) PDE2AALDH1A1MAPTEPHX2ESR1
SCHEMBL9570597 0.82 ALDH1A1 (0.41) PDE2AALDH1A1MAPTEPHX2ESR1
SCHEMBL9570755 0.81 ABCB11 (0.46) ALDH1A1ESR1ESR2AOC3L3MBTL1
SCHEMBL5698984 0.81 SCN9A (0.49) PDE2AALDH1A1MAPTEPHX2MAOB
SCHEMBL5698985 0.81 SCN9A (0.49) PDE2AALDH1A1MAPTEPHX2MAOB
SCHEMBL2328155 0.79 PDE2A (0.42) PDE2AALDH1A1MAPTEPHX2MAOB
SCHEMBL15797863 0.79 PDE2A (0.42) PDE2AALDH1A1MAPTEPHX2MAOB
SCHEMBL8515750 0.79 PDE2A (0.42) PDE2AALDH1A1MAPTEPHX2MAOB
SCHEMBL9570678 0.79 ESR1 (0.41) ALDH1A1MAPTESR1ESR2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0545891-A2 Aldehyde compounds and derivatives thereof useful as intermediates in the preparation of insectical ether compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-06-09 EP disclosed
US-4988826-A Fluoroalkylstyrene derivatives as intermediates for insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-01-29 US disclosed
US-4891450-A FLUORINE-CONTAINING ARYLALKENES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-01-02 US disclosed
US-4840971-A INSECTICIDES, MITICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-06-20 US disclosed
EP-0280383-A1 Process for intermediates for insecticidal compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-08-31 EP disclosed
EP-0240978-A2 Ether compounds, process for their preparation, compositions containing the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-10-14 EP disclosed