SCHEMBL9054138

SCHEMBL9054138

C#CCC(=O)OCC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
FABP7 O15540 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRA6 Q16445 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL7062833 0.82 HTT (0.52) HTTFABP7
SCHEMBL6423668 0.81 MAPK1 (0.34) ALDH1A1
SCHEMBL10900754 0.80 HTT (0.45) HTTFABP7
SCHEMBL28682485 0.77 HTT (0.42) HTTALDH1A1
SCHEMBL6417698 0.76 ALDH1A1 (0.41) ALDH1A1
SCHEMBL6422346 0.76 ALDH1A1 (0.45) ALDH1A1
SCHEMBL4951808 0.75 HTT (0.54) HTTFABP7ALDH1A1
SCHEMBL7510764 0.75 HTT (0.54) HTTFABP7ALDH1A1
SCHEMBL2331335 0.75 MAPT (0.48) HTTALDH1A1
SCHEMBL8809039 0.74 HTT (0.48) HTTFABP7GABRA1GABRG2GABRB3

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
EP-0690855-B1 BENZOPYRANES AS POTASSIUM CHANNEL OPENERS PFIZER LTD (GB) 1996-12-18 EP claimed