SCHEMBL9570722

SCHEMBL9570722

CCOc1ccc(C(COCc2ccc(F)c(Sc3ccccc3)c2)C(F)(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
KAT6A Q92794 1/20 0.33
LMNA P02545 2/20 0.33
CNR2 P34972 1/20 0.33
TACR1 P25103 2/20 0.32
PKM P14618 2/20 0.32
CACNA1F O60840 1/20 0.32
CACNA1D Q01668 1/20 0.32
CACNA1S Q13698 1/20 0.32
CACNA1C Q13936 1/20 0.32
TP53 P04637 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32

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
SCHEMBL9570586 0.91 FFAR1 (0.34) FFAR1KAT6ALMNATP53SMN1; SMN2
SCHEMBL9570774 0.88 CHRNA7 (0.37) MEN1KMT2AL3MBTL1LMNATACR1
SCHEMBL9570767 0.85 MRGPRX4 (0.39) FFAR1MEN1KMT2AL3MBTL1RXFP1
SCHEMBL409992 0.82 LTA4H (0.41) FFAR1MEN1KMT2AL3MBTL1KAT6A
SCHEMBL9560920 0.82 SLC5A2 (0.40) FFAR1MEN1KMT2AL3MBTL1KAT6A
SCHEMBL9570584 0.80 KDM4E (0.37) FFAR1MEN1KMT2AL3MBTL1KAT6A
SCHEMBL9560815 0.78 MRGPRX4 (0.41) FFAR1MEN1KMT2AL3MBTL1LMNA
SCHEMBL9561457 0.77 CACNA1C (0.36) FFAR1KMT2AL3MBTL1KAT6ALMNA
SCHEMBL9570712 0.77 SLC5A1 (0.40) FFAR1KMT2AKAT6ALMNACACNA1C
SCHEMBL9561406 0.77 FFAR1 (0.51) FFAR1CNR2PKMTP53NFKB1

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