SCHEMBL9560903

SCHEMBL9560903

Cc1ccc(C(COCc2cccc(Oc3ccccc3)c2)C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.46
CETP P11597 11/20 0.43
TACR1 P25103 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
FAAH O00519 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) FFAR1CETPTACR1FFAR4
SCHEMBL9560683 0.91 KDM4E (0.50) FFAR1CETPTACR1KDM4EALDH1A1
SCHEMBL9570571 0.89 CETP (0.43) FFAR1CETPTACR1
SCHEMBL9570794 0.89 FFAR1 (0.44) FFAR1CETPKDM4EALDH1A1HTT
SCHEMBL9570765 0.89 CETP (0.44) FFAR1CETPFFAR4
SCHEMBL9570907 0.88 FAAH (0.42) FFAR1CETPTACR1KDM4EALDH1A1
SCHEMBL9560936 0.88 KDM4E (0.43) FFAR1CETPKDM4EALDH1A1HTT
SCHEMBL409247 0.88 FFAR1 (0.51) FFAR1CETPSMN1; SMN2FFAR4
SCHEMBL9561406 0.88 FFAR1 (0.51) FFAR1CETPSMN1; SMN2FFAR4
SCHEMBL9570580 0.88 CETP (0.49) FFAR1CETPKDM4EALDH1A1HTT

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