SCHEMBL9570819

SCHEMBL9570819

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.44
CETP P11597 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
MAOB P27338 3/20 0.41
LTA4H P09960 1/20 0.40
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
TACR1 P25103 1/20 0.37
IDO1 P14902 1/20 0.36
AGXT P21549 1/20 0.36
CSF1R P07333 1/20 0.36
PDGFRB P09619 1/20 0.36
FLT4 P35916 1/20 0.36
FLT3 P36888 1/20 0.36
TP53 P04637 2/20 0.36
PKM P14618 2/20 0.36
NFKB1 P19838 2/20 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) FFAR1CETPSMN1; SMN2LTA4HACACB
SCHEMBL9561406 0.93 FFAR1 (0.51) FFAR1CETPSMN1; SMN2LTA4HACACB
SCHEMBL9570818 0.91 FFAR1 (0.44) FFAR1CETPSMN1; SMN2MAOBLTA4H
SCHEMBL9570568 0.91 FFAR1 (0.44) FFAR1CETPSMN1; SMN2KDM4EALDH1A1
SCHEMBL9560683 0.91 KDM4E (0.50) FFAR1CETPSMN1; SMN2KDM4EALDH1A1
SCHEMBL118655 0.90 FFAR1 (0.44) FFAR1CETPSMN1; SMN2ALDH1A1LTA4H
SCHEMBL9570619 0.90 FFAR1 (0.44) FFAR1CETPMAOBLTA4HMRGPRX4
SCHEMBL409736 0.90 FFAR1 (0.44) FFAR1CETPSMN1; SMN2ALDH1A1HTT
SCHEMBL9862593 0.90 FFAR1 (0.44) FFAR1CETPSMN1; SMN2ALDH1A1LTA4H
SCHEMBL9570636 0.90 FFAR1 (0.44) FFAR1CETPMAOBLTA4HMRGPRX4

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