SCHEMBL9570758

SCHEMBL9570758

OCC(c1cccc(F)c1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
CNR2 P34972 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
AOC3 Q16853 1/20 0.37
SLC7A5 Q01650 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A9 P48067 1/20 0.35
SLC6A5 Q9Y345 1/20 0.35
CYP19A1 P11511 1/20 0.35
CETP P11597 1/20 0.35

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
SCHEMBL9570685 0.81 ACP3 (0.41) AOC3SLC6A2SLC6A4CETP
SCHEMBL9570676 0.80 PNMT (0.56) CES2IDO1TDO2SLC6A2SLC6A4
SCHEMBL9570847 0.80 ACP3 (0.40) AOC3CYP19A1CETP
SCHEMBL7931678 0.79 AOC3 (0.39) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL4122236 0.78 ESR1 (0.42)
SCHEMBL22349242 0.78 ESR1 (0.42)
SCHEMBL13263062 0.76 HDAC4 (0.47) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL9570698 0.76 ESR1 (0.46) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL9570766 0.76 AOC3 (0.48) AOC3SLC6A2SLC6A4
SCHEMBL9570786 0.76 CES2 (0.40) CES2CES1

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
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-4840971-A INSECTICIDES, MITICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-06-20 US 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