SCHEMBL9570826

SCHEMBL9570826

CCCOc1ccc(C(COCc2ccc(F)c(Oc3ccccc3)c2)C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.38
PTPN7 P35236 1/20 0.36
DUSP3 P51452 1/20 0.36
KAT6A Q92794 1/20 0.36
PPARG P37231 2/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
FFAR1 O14842 3/20 0.35
CETP P11597 1/20 0.35
FAAH O00519 2/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
PLA2G2A P14555 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL409992 0.92 LTA4H (0.41) LTA4HKAT6APPARGPPARDPPARA
SCHEMBL9561242 0.90 CETP (0.34) FFAR1CETP
SCHEMBL9570771 0.90 FFAR1 (0.35) FFAR1CETPALDH1A1
SCHEMBL9570728 0.88 CETP (0.36) FFAR1CETPFAAHHDAC1
SCHEMBL9561249 0.88 FFAR1 (0.40) LTA4HFFAR1ALDH1A1
SCHEMBL9570693 0.88 TACR1 (0.36) FFAR1
SCHEMBL9570632 0.88 DUT (0.35) FFAR1CETP
SCHEMBL9560935 0.87 LTA4H (0.36) LTA4HFFAR1
SCHEMBL9561512 0.86 TACR1 (0.36) PPARGPPARAFFAR1ALDH1A1
SCHEMBL9560897 0.86 FFAR1 (0.37) FFAR1ALDH1A1

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