SCHEMBL23100

SCHEMBL23100

CCOC(OCC)C(=O)CC(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.32
THRB P10828 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL932895 0.81
SCHEMBL178955 0.72 THRB (0.40) THRBLMNA
SCHEMBL12523450 0.71 THRB (0.35) THRBLMNA
SCHEMBL7077340 0.71 HTT (0.56) HTTTHRBLMNA
SCHEMBL9218462 0.71 ALDH1A1 (0.34) HTTLMNA
SCHEMBL6995147 0.70 HTT (0.32) HTT
SCHEMBL24909676 0.70 ACHE (0.32)
SCHEMBL9937312 0.70 HTT (0.39) HTT
SCHEMBL9938019 0.69 MAPT (0.32) HTT
SCHEMBL28426933 0.69 HTT (0.31) HTT

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
WO-2012025548-A1 PROCESS FOR THE PREPARATION OF ALKENONES SOLVAY SA (BE) 2012-03-01 WO disclosed