SCHEMBL9560683

SCHEMBL9560683

COc1ccc(C(COCc2cccc(Oc3ccccc3)c2)C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CETP P11597 8/20 0.47
LTA4H P09960 1/20 0.43
FFAR1 O14842 1/20 0.43
TACR1 P25103 2/20 0.42
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
IDO1 P14902 2/20 0.40
AGXT P21549 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL7930457 0.91 CETP (0.45) CETPFFAR1TACR1
SCHEMBL9570819 0.91 FFAR1 (0.44) KDM4EALDH1A1HTTSMN1; SMN2CETP
SCHEMBL9560936 0.91 KDM4E (0.43) KDM4EALDH1A1HTTSMN1; SMN2CETP
SCHEMBL9560903 0.91 FFAR1 (0.46) KDM4EALDH1A1HTTSMN1; SMN2CETP
SCHEMBL9570794 0.89 FFAR1 (0.44) KDM4EALDH1A1HTTSMN1; SMN2CETP
SCHEMBL9570765 0.89 CETP (0.44) CETPLTA4HFFAR1
SCHEMBL9561406 0.88 FFAR1 (0.51) SMN1; SMN2CETPLTA4HFFAR1
SCHEMBL409247 0.88 FFAR1 (0.51) SMN1; SMN2CETPLTA4HFFAR1
SCHEMBL9570907 0.88 FAAH (0.42) KDM4EALDH1A1HTTSMN1; SMN2CETP
SCHEMBL9570580 0.88 CETP (0.49) KDM4EALDH1A1HTTSMN1; SMN2CETP

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 7 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 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-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
EP-0211561-A1 Insecticidal ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-02-25 EP disclosed