SCHEMBL9570596

SCHEMBL9570596

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 1/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TACR1 P25103 1/20 0.36
FFAR1 O14842 5/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ADRB3 P13945 1/20 0.33
BCHE P06276 1/20 0.32
TYR P14679 1/20 0.32
ACHE P22303 1/20 0.32
LTA4H P09960 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
SCHEMBL9570783 0.93 CACNA1C (0.42) CACNA1CMAPTLMNAATML3MBTL1
SCHEMBL9560849 0.92 MAPT (0.40) CACNA1CMAPTLMNAATML3MBTL1
SCHEMBL9570736 0.92 CACNA1C (0.37) CACNA1CMAPTLMNAATML3MBTL1
SCHEMBL409992 0.92 LTA4H (0.41) CACNA1CMAPTLMNAATML3MBTL1
SCHEMBL9862416 0.92 MAPT (0.40) CACNA1CMAPTLMNAATML3MBTL1
SCHEMBL9570784 0.91 L3MBTL1 (0.37) CACNA1CMAPTLMNAATML3MBTL1
SCHEMBL9570581 0.91 MAPT (0.46) CACNA1CMAPTLMNAATML3MBTL1
SCHEMBL9561457 0.91 CACNA1C (0.36) CACNA1CMAPTLMNAATML3MBTL1
SCHEMBL9570657 0.90 CACNA1C (0.36) CACNA1CMAPTLMNAATML3MBTL1
SCHEMBL9561249 0.89 FFAR1 (0.40) L3MBTL1TACR1FFAR1CA1CA2

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