SCHEMBL9448041

SCHEMBL9448041

CO[C@H]1O[C@H](C(O)Cc2ccccc2)[C@@H](CO)[C@@](O)(Cc2ccccc2)[C@]1(O)Cc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.35
LGALS8 O00214 1/20 0.31
TRPA1 O75762 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
SCHEMBL3945464 0.88 HTT (0.38) HTTTRPA1
SCHEMBL8105080 0.88 HTT (0.38) HTTTRPA1
SCHEMBL9448189 0.82 HTT (0.34) HTT
SCHEMBL9448155 0.82 CTRB1 (0.31) HTT
SCHEMBL8423473 0.77 HTT (0.37) HTTLGALS8TRPA1
SCHEMBL9093078 0.77 HTT (0.36) HTTTRPA1
SCHEMBL7642568 0.77 HTT (0.36) HTTTRPA1
SCHEMBL7639470 0.77 HTT (0.36) HTTTRPA1
SCHEMBL7639804 0.77 HTT (0.36) HTTTRPA1
SCHEMBL9094926 0.76 LGALS8 (0.39) LGALS8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0532668-A1 NOVEL -g(a)-GLUCOSIDASE INHIBITORS. MERRELL DOW PHARMA (US) 1993-03-24 EP disclosed
WO-1991018915-A1 NOVEL α-GLUCOSIDASE INHIBITORS MERRELL DOW PHARMACEUTICALS INC. (US) 1991-12-12 WO disclosed