SCHEMBL11113985

SCHEMBL11113985

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

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.32
TRPA1 O75762 1/20 0.31
LAP3 P28838 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
SCHEMBL8375048 0.85 HTT (0.32) HTT
SCHEMBL11215267 0.81 HIF1A (0.34) HTT
SCHEMBL5983969 0.79 HTT (0.34) HTTTRPA1
SCHEMBL7643397 0.79 HTT (0.34) HTTTRPA1
SCHEMBL1359575 0.76 GRIN2D (0.32) TRPA1
SCHEMBL3945464 0.76 HTT (0.38) HTTTRPA1LAP3
SCHEMBL8105080 0.76 HTT (0.38) HTTTRPA1LAP3
SCHEMBL9094534 0.75 NPY5R (0.32) HTT
SCHEMBL11116421 0.75
SCHEMBL16147911 0.74 GRIN2D (0.33) TRPA1

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-0126043-A1 Carbohydrate derivatives and compositions thereof for therapeutic or diagnostic use ANDERSSON, Bengt (SE) 1984-11-21 EP disclosed