SCHEMBL9570657

SCHEMBL9570657

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 2/20 0.36
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FFAR1 O14842 3/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.32
KMT2A Q03164 3/20 0.32
RXRA P19793 3/20 0.31
GRIN1 Q05586 3/20 0.31
GRIN2B Q13224 3/20 0.31
REN P00797 1/20 0.31
CTSD P07339 1/20 0.31
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
LTA4H P09960 1/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31

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) CACNA1CMAPTLMNAATML3MBTL1
SCHEMBL9570596 0.90 CACNA1C (0.37) CACNA1CMAPTLMNAATML3MBTL1
SCHEMBL9560849 0.90 MAPT (0.40) CACNA1CMAPTLMNAATML3MBTL1
SCHEMBL409992 0.90 LTA4H (0.41) CACNA1CMAPTLMNAATML3MBTL1
SCHEMBL9570736 0.90 CACNA1C (0.37) CACNA1CMAPTLMNAATML3MBTL1
SCHEMBL9862416 0.90 MAPT (0.40) CACNA1CMAPTLMNAATML3MBTL1
SCHEMBL9561457 0.89 CACNA1C (0.36) CACNA1CMAPTLMNAATML3MBTL1
SCHEMBL9570581 0.89 MAPT (0.46) CACNA1CMAPTLMNAATML3MBTL1
SCHEMBL9570784 0.89 L3MBTL1 (0.37) CACNA1CMAPTLMNAATML3MBTL1
SCHEMBL9570726 0.89 MRGPRX4 (0.34) CACNA1CFFAR1MRGPRX4PPARGPPARA

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