SCHEMBL9560849

SCHEMBL9560849

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
CACNA1C Q13936 1/20 0.37
LMNA P02545 2/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FFAR1 O14842 6/20 0.35
HTR2A P28223 3/20 0.34
SLC6A4 P31645 3/20 0.34
KCNH2 Q12809 3/20 0.34
EGFR P00533 1/20 0.34
LCK P06239 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL9862416 1.00 MAPT (0.40) MAPTSMN1; SMN2KMT2AMEN1CRHBP
SCHEMBL9570783 0.93 CACNA1C (0.42) MAPTKMT2AMEN1CACNA1CLMNA
SCHEMBL409992 0.92 LTA4H (0.41) MAPTKMT2AMEN1CACNA1CLMNA
SCHEMBL9570596 0.92 CACNA1C (0.37) MAPTCACNA1CLMNAATML3MBTL1
SCHEMBL9570736 0.92 CACNA1C (0.37) MAPTSMN1; SMN2KMT2ACACNA1CLMNA
SCHEMBL9570784 0.91 L3MBTL1 (0.37) MAPTCACNA1CLMNAATML3MBTL1
SCHEMBL9570581 0.91 MAPT (0.46) MAPTCACNA1CLMNAATML3MBTL1
SCHEMBL9561457 0.91 CACNA1C (0.36) MAPTKMT2ACACNA1CLMNAATM
SCHEMBL9570657 0.90 CACNA1C (0.36) MAPTKMT2AMEN1CACNA1CLMNA
SCHEMBL9561512 0.88 TACR1 (0.36) CACNA1CATML3MBTL1FFAR1ALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5225607-A Multistage etherification or dehydrohalogenation and reductive dechlorination IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-07-06 US claimed
US-5225607-A Multistage etherification or dehydrohalogenation and reductive dechlorination IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-07-06 US disclosed
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-5196610-A INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-03-23 US disclosed
EP-0211561-B1 INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-03-11 EP disclosed
US-4988826-A Fluoroalkylstyrene derivatives as intermediates for insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-01-29 US disclosed
US-4891450-A FLUORINE-CONTAINING ARYLALKENES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-01-02 US disclosed
US-4840971-A INSECTICIDES, MITICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-06-20 US disclosed
EP-0280383-A1 Process for intermediates for insecticidal compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-08-31 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
EP-0211561-A1 Insecticidal ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-02-25 EP disclosed