SCHEMBL9570882

SCHEMBL9570882

O=CC(c1ccc(OC(F)(F)F)cc1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.42
EPHX2 P34913 1/20 0.41
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.37
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
MMP2 P08253 3/20 0.36
MMP9 P14780 3/20 0.36
MEN1 O00255 1/20 0.36
KIF11 P52732 1/20 0.36
TOP2A P11388 1/20 0.35
TOP2B Q02880 1/20 0.35
MAOB P27338 1/20 0.35
AOC3 Q16853 1/20 0.35
DAO P14920 1/20 0.35
EPHX1 P07099 1/20 0.35
MMP1 P03956 1/20 0.35
GPR3 P46089 1/20 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
SCHEMBL9570567 0.86 ALDH1A1 (0.41) PDE2AEPHX2ALDH1A1PIM1PIM2
SCHEMBL9570814 0.83 ALDH1A1 (0.40) EPHX2ALDH1A1MAPTTRPV1
SCHEMBL9570869 0.81 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1
SCHEMBL15332685 0.81 PDE2A (0.45) PDE2AEPHX2ALDH1A1KMT2APIM1
SCHEMBL9570593 0.80 DRD1 (0.47) PDE2AALDH1A1KMT2AMAPTMEN1
SCHEMBL9570578 0.79 ALDH1A3 (0.50) ALDH1A1KMT2AGAA
SCHEMBL15571330 0.78 PDE2A (0.42) PDE2AEPHX2ALDH1A1KMT2APIM1
SCHEMBL21497149 0.78 PDE2A (0.42) PDE2AEPHX2ALDH1A1KMT2APIM1
SCHEMBL1128044 0.78 PDE2A (0.42) PDE2AEPHX2ALDH1A1KMT2APIM1
SCHEMBL9570747 0.77 NQO1 (0.47) ALDH1A1MAOB

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
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
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