SCHEMBL9570775

SCHEMBL9570775

CCOc1ccc(C(COCc2ccc(F)c(Oc3ccc(F)cc3F)c2)C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 1/20 0.40
POLB P06746 1/20 0.37
BRD4 O60885 8/20 0.36
FAAH O00519 2/20 0.35
FFAR1 O14842 4/20 0.34
PPARD Q03181 2/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PLA2G1B P04054 1/20 0.34
GAA P10253 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
TRPA1 O75762 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL9570783 0.91 CACNA1C (0.42) CACNA1CPOLBFFAR1PPARDPPARG
SCHEMBL9560872 0.87 CACNA1C (0.39) CACNA1CPOLBBRD4FAAHFFAR1
SCHEMBL9570596 0.86 CACNA1C (0.37) CACNA1CFFAR1LMNAMAPTATM
SCHEMBL9560849 0.86 MAPT (0.40) CACNA1CFFAR1LMNAMAPTKMT2A
SCHEMBL9862416 0.86 MAPT (0.40) CACNA1CFFAR1LMNAMAPTKMT2A
SCHEMBL9570736 0.86 CACNA1C (0.37) CACNA1CFFAR1PPARDPPARGPPARA
SCHEMBL409992 0.86 LTA4H (0.41) CACNA1CFFAR1PPARDPPARGPPARA
SCHEMBL9570581 0.85 MAPT (0.46) CACNA1CFFAR1PPARGLMNAMAPT
SCHEMBL9561457 0.85 CACNA1C (0.36) CACNA1CFFAR1PPARDPPARGPPARA
SCHEMBL9570784 0.85 L3MBTL1 (0.37) CACNA1CFFAR1LMNAMAPTATM

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