SCHEMBL9570619

SCHEMBL9570619

CCOc1ccc(C(COCc2cccc(Oc3ccc(OC(F)(F)F)cc3)c2)C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.44
CETP P11597 12/20 0.42
MRGPRX4 Q96LA9 2/20 0.42
LTA4H P09960 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP14 P50281 1/20 0.38
ADAM17 P78536 1/20 0.38
MAPK14 Q16539 1/20 0.38
MAOB P27338 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
SCHEMBL9570818 0.93 FFAR1 (0.44) FFAR1CETPMRGPRX4LTA4HMAOB
SCHEMBL409247 0.92 FFAR1 (0.51) FFAR1CETPMRGPRX4LTA4H
SCHEMBL9561406 0.92 FFAR1 (0.51) FFAR1CETPMRGPRX4LTA4H
SCHEMBL9570568 0.90 FFAR1 (0.44) FFAR1CETPMRGPRX4LTA4H
SCHEMBL9570819 0.90 FFAR1 (0.44) FFAR1CETPMRGPRX4LTA4HMAOB
SCHEMBL409881 0.90 CETP (0.50) FFAR1CETPMRGPRX4MAPK14
SCHEMBL118655 0.89 FFAR1 (0.44) FFAR1CETPMRGPRX4LTA4H
SCHEMBL409736 0.89 FFAR1 (0.44) FFAR1CETPMRGPRX4LTA4H
SCHEMBL9862593 0.89 FFAR1 (0.44) FFAR1CETPMRGPRX4LTA4H
SCHEMBL9570636 0.89 FFAR1 (0.44) FFAR1CETPMRGPRX4LTA4HL3MBTL1

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