SCHEMBL9570581

SCHEMBL9570581

CCOc1ccc(C(COCc2ccc(F)c(Oc3ccc(C(F)(F)F)cc3)c2)C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
FFAR1 O14842 5/20 0.39
PPARG P37231 1/20 0.39
SCN8A Q9UQD0 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
CACNA1C Q13936 1/20 0.36
MAOB P27338 6/20 0.36
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 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
SCHEMBL9570783 0.92 CACNA1C (0.42) MAPTLMNAATML3MBTL1FFAR1
SCHEMBL9570736 0.91 CACNA1C (0.37) MAPTLMNAATML3MBTL1FFAR1
SCHEMBL9862416 0.91 MAPT (0.40) MAPTLMNAATML3MBTL1FFAR1
SCHEMBL9560849 0.91 MAPT (0.40) MAPTLMNAATML3MBTL1FFAR1
SCHEMBL9570596 0.91 CACNA1C (0.37) MAPTLMNAATML3MBTL1FFAR1
SCHEMBL409992 0.91 LTA4H (0.41) MAPTLMNAATML3MBTL1FFAR1
SCHEMBL9570784 0.90 L3MBTL1 (0.37) MAPTLMNAATML3MBTL1FFAR1
SCHEMBL9561457 0.90 CACNA1C (0.36) MAPTLMNAATML3MBTL1FFAR1
SCHEMBL9570793 0.89 TACR1 (0.39) FFAR1SCN8ASCN10ACACNA1CMAOB
SCHEMBL9570657 0.89 CACNA1C (0.36) MAPTLMNAATML3MBTL1FFAR1

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
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