SCHEMBL9560407

SCHEMBL9560407

COCc1ccc(C(O)(COCc2cccc(Oc3ccc(Cl)cc3)c2)C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
HTT P42858 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 2/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
CETP P11597 1/20 0.37
FFAR4 Q5NUL3 2/20 0.35
FFAR1 O14842 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
FDFT1 P37268 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL9560674 0.92 CETP (0.39) LMNAHTTSMN1; SMN2ALDH1A1CETP
SCHEMBL9560497 0.88 ALDH1A1 (0.41) LMNAHTTSMN1; SMN2NPSR1GAA
SCHEMBL9560703 0.88 MAPK14 (0.42) LMNAALDH1A1PPARGPPARACETP
SCHEMBL9560778 0.87 ALDH1A1 (0.39) LMNAHTTSMN1; SMN2NPSR1GAA
SCHEMBL27277060 0.86 LMNA (0.40) LMNAHTTSMN1; SMN2NPSR1GAA
SCHEMBL9560466 0.84 ALDH1A1 (0.48) LMNAHTTSMN1; SMN2ALDH1A1CETP
SCHEMBL27281063 0.82 ALDH1A1 (0.39) LMNAHTTSMN1; SMN2NPSR1GAA
SCHEMBL9560888 0.82 ALDH1A1 (0.39) LMNAHTTSMN1; SMN2NPSR1GAA
SCHEMBL9560883 0.82 ALDH1A1 (0.39) LMNAHTTSMN1; SMN2NPSR1GAA
SCHEMBL9560797 0.81 FFAR1 (0.38) LMNAHTTSMN1; SMN2NPSR1GAA

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 4 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
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
EP-0211561-A1 Insecticidal ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-02-25 EP disclosed