SCHEMBL11067423

SCHEMBL11067423

COC(=O)C1C(OCC(F)(F)F)C1(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.33
HTT P42858 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL11444325 0.83 LMNA (0.45) ELANEHTTALDH1A1
SCHEMBL11442383 0.81 HTT (0.32) HTT
SCHEMBL27561661 0.72
SCHEMBL11208680 0.69 HTT (0.36) HTTCYP1A2ALDH1A1
SCHEMBL2690901 0.69 HTT (0.35) ELANEHTTCYP1A2ALDH1A1
SCHEMBL2690895 0.69 HTT (0.35) ELANEHTTCYP1A2ALDH1A1
SCHEMBL2690897 0.69 HTT (0.35) ELANEHTTCYP1A2ALDH1A1
SCHEMBL11211754 0.68 CCR6 (0.32) HTT
SCHEMBL11081915 0.68
SCHEMBL11046076 0.66 GAA (0.33)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4457940-A Carboxylic acid ester derivatives, process for manufacturing said derivatives, insecticides and acaricides containing said derivatives, and method for killing insects and acarina by treating therewith DAINIPPON JOCHUGIKU KABUSHIKI KAISHA (JP) 1984-07-03 US disclosed