SCHEMBL9570907

SCHEMBL9570907

CC(C)(C)c1ccc(C(COCc2cccc(Oc3ccccc3)c2)C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.42
FDFT1 P37268 1/20 0.41
FFAR1 O14842 1/20 0.41
CETP P11597 11/20 0.40
TACR1 P25103 3/20 0.40
GPR34 Q9UPC5 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CACNA1F O60840 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38

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
SCHEMBL9862434 0.91 CETP (0.48) FDFT1FFAR1CETPTACR1CACNA1F
SCHEMBL9570872 0.91 CETP (0.48) FDFT1FFAR1CETPTACR1CACNA1F
SCHEMBL7930457 0.89 CETP (0.45) FFAR1CETPTACR1CACNA1FCACNA1D
SCHEMBL9560903 0.88 FFAR1 (0.46) FAAHFFAR1CETPTACR1KDM4E
SCHEMBL9560683 0.88 KDM4E (0.50) FFAR1CETPTACR1KDM4EALDH1A1
SCHEMBL9570794 0.87 FFAR1 (0.44) FFAR1CETPKDM4EALDH1A1HTT
SCHEMBL9570765 0.87 CETP (0.44) FDFT1FFAR1CETP
SCHEMBL9561406 0.86 FFAR1 (0.51) FFAR1CETPSMN1; SMN2
SCHEMBL409247 0.86 FFAR1 (0.51) FFAR1CETPSMN1; SMN2
SCHEMBL9560936 0.86 KDM4E (0.43) 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 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