SCHEMBL9570772

SCHEMBL9570772

CCOc1ccc(C(COCc2cccc(Oc3ccc(F)c(F)c3)c2)C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.41
CETP P11597 5/20 0.40
PPARD Q03181 2/20 0.37
FDFT1 P37268 1/20 0.37
LTA4H P09960 1/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
IDO1 P14902 1/20 0.35
MAPK1 P28482 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
SCHEMBL9570568 0.90 FFAR1 (0.44) FFAR1CETPFDFT1LTA4HTP53
SCHEMBL409247 0.90 FFAR1 (0.51) FFAR1CETPLTA4HTP53PKM
SCHEMBL9561406 0.90 FFAR1 (0.51) FFAR1CETPLTA4HTP53PKM
SCHEMBL29370536 0.89 FFAR1 (0.44) FFAR1CETPLTA4HTP53PKM
SCHEMBL118655 0.89 FFAR1 (0.44) FFAR1CETPLTA4HTP53PKM
SCHEMBL9862593 0.89 FFAR1 (0.44) FFAR1CETPLTA4HTP53PKM
SCHEMBL9570818 0.88 FFAR1 (0.44) FFAR1CETPLTA4HTP53PKM
SCHEMBL9570819 0.88 FFAR1 (0.44) FFAR1CETPLTA4HTP53PKM
SCHEMBL409736 0.87 FFAR1 (0.44) FFAR1CETPLTA4HTP53PKM
SCHEMBL9570619 0.87 FFAR1 (0.44) FFAR1CETPLTA4HMRGPRX4

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