SCHEMBL9570568

SCHEMBL9570568

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.44
CETP P11597 4/20 0.43
LTA4H P09960 2/20 0.40
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PLA2G1B P04054 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CACNA1B Q00975 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

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
SCHEMBL409247 0.93 FFAR1 (0.51) FFAR1CETPLTA4HACACBACACA
SCHEMBL9561406 0.93 FFAR1 (0.51) FFAR1CETPLTA4HACACBACACA
SCHEMBL9570819 0.91 FFAR1 (0.44) FFAR1CETPLTA4HKDM4EALDH1A1
SCHEMBL9570818 0.91 FFAR1 (0.44) FFAR1CETPLTA4HACACBACACA
SCHEMBL409736 0.90 FFAR1 (0.44) FFAR1CETPLTA4HALDH1A1ACACB
SCHEMBL118655 0.90 FFAR1 (0.44) FFAR1CETPLTA4HLMNAALDH1A1
SCHEMBL9570619 0.90 FFAR1 (0.44) FFAR1CETPLTA4HMRGPRX4
SCHEMBL9862593 0.90 FFAR1 (0.44) FFAR1CETPLTA4HLMNAALDH1A1
SCHEMBL9570636 0.90 FFAR1 (0.44) FFAR1CETPLTA4HLMNAMAPT
SCHEMBL29370536 0.90 FFAR1 (0.44) FFAR1CETPLTA4HLMNAALDH1A1

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