SCHEMBL9560883

SCHEMBL9560883

CCOc1c(F)cc(C(O)(COCc2cccc(Oc3ccc(Cl)cc3)c2)C(F)(F)F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
LMNA P02545 2/20 0.35
MAOB P27338 2/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
CETP P11597 5/20 0.35
FFAR1 O14842 4/20 0.34
FFAR4 Q5NUL3 2/20 0.34
RORC P51449 1/20 0.33
MAOA P21397 1/20 0.33
MAPK1 P28482 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
SCHEMBL9560888 1.00 ALDH1A1 (0.39) ALDH1A1LMNAMAOBGAAHTT
SCHEMBL9561343 0.92 CETP (0.41) CETPFFAR1FFAR4MAPK1
SCHEMBL9561335 0.92 CETP (0.41) CETPFFAR1FFAR4MAPK1
SCHEMBL9560797 0.91 FFAR1 (0.38) ALDH1A1LMNAMAOBGAAHTT
SCHEMBL9560497 0.90 ALDH1A1 (0.41) ALDH1A1LMNAGAAHTTSMN1; SMN2
SCHEMBL9561663 0.88 ALDH1A1 (0.39) ALDH1A1LMNAMAOBGAAHTT
SCHEMBL9561658 0.88 ALDH1A1 (0.39) ALDH1A1LMNAMAOBGAAHTT
SCHEMBL9560412 0.83 LTA4H (0.46) LMNASMN1; SMN2CETPFFAR1FFAR4
SCHEMBL9561496 0.83 ALOX5 (0.33) LMNAPPARGCETPFFAR1RORC
SCHEMBL9561491 0.83 ALOX5 (0.33) LMNAPPARGCETPFFAR1RORC

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
US-5225607-A Multistage etherification or dehydrohalogenation and reductive dechlorination IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-07-06 US disclosed
EP-0276558-B1 INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-08 EP disclosed
EP-0276558-A2 Insecticidal ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-08-03 EP disclosed