SCHEMBL9560778

SCHEMBL9560778

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
CETP P11597 1/20 0.36
KDM4E B2RXH2 1/20 0.35
FFAR4 Q5NUL3 2/20 0.34
FDFT1 P37268 1/20 0.33
FFAR1 O14842 2/20 0.33
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
KCNH2 Q12809 1/20 0.33
MGLL Q99685 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
SCHEMBL9560419 0.93 KDM4E (0.39) ALDH1A1LMNAHTTSMN1; SMN2CETP
SCHEMBL9560848 0.88 ALDH1A1 (0.42) ALDH1A1LMNAHTTSMN1; SMN2GAA
SCHEMBL9560424 0.87 MAPK14 (0.40) ALDH1A1LMNAPPARGPPARACETP
SCHEMBL9560407 0.87 LMNA (0.40) ALDH1A1LMNAHTTSMN1; SMN2GAA
SCHEMBL27281063 0.85 ALDH1A1 (0.39) ALDH1A1LMNAHTTSMN1; SMN2GAA
SCHEMBL9560366 0.85 KDM4E (0.48) ALDH1A1LMNAHTTSMN1; SMN2CETP
SCHEMBL27277060 0.82 LMNA (0.40) ALDH1A1LMNAHTTSMN1; SMN2GAA
SCHEMBL9561663 0.82 ALDH1A1 (0.39) ALDH1A1LMNAHTTSMN1; SMN2GAA
SCHEMBL9561658 0.82 ALDH1A1 (0.39) ALDH1A1LMNAHTTSMN1; SMN2GAA
SCHEMBL9560352 0.81 FFAR1 (0.42) ALDH1A1LMNAHTTSMN1; 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 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