SCHEMBL8988467

SCHEMBL8988467

C#CCN(I)[C@@H](CO)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 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
SCHEMBL8988449 1.00 OR51E2 (0.30) OR51E2
SCHEMBL503833 0.76 SLC1A3 (0.32) OR51E2
SCHEMBL503832 0.76 SLC1A3 (0.32) OR51E2
SCHEMBL24633927 0.72 OR51E2 (0.33) OR51E2
SCHEMBL30516149 0.71
SCHEMBL2898119 0.64
SCHEMBL10932783 0.63 GRIK1 (0.36)
SCHEMBL3870679 0.63
SCHEMBL3870675 0.63
SCHEMBL9619819 0.63 OR51E2 (0.37) OR51E2

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-0719552-A2 Pharmaceutical composition comprising a quinone derivative or a hydroquinone thereof for treating dermatitis Takeda Chemical Industries, Ltd. (JP) 1996-07-03 EP disclosed