SCHEMBL19953836

SCHEMBL19953836

CC1(C)O[C@@H]2[C@H](O1)[C@H](n1ccc(=O)[nH]c1=O)O[C@@H]2CN

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC28A1 O00337 1/20 0.49
SLC28A2 O43868 1/20 0.49
SLC29A1 Q99808 1/20 0.49
SLC28A3 Q9HAS3 1/20 0.49
P2RY2 P41231 10/20 0.44
P2RY6 Q15077 8/20 0.42
P2RY4 P51582 4/20 0.41
P2RY14 Q15391 2/20 0.41

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
SCHEMBL14473414 1.00 SLC28A1 (0.49) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL11992610 1.00 SLC28A1 (0.49) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL11993814 1.00 SLC28A1 (0.49) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL13401313 0.89 SLC28A1 (0.50) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL15828290 0.89 SLC28A1 (0.50) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL24780347 0.88 SLC28A1 (0.62) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL21055679 0.88 SLC28A1 (0.62) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL4083531 0.88 SLC28A1 (0.62) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL22236624 0.88 SLC28A1 (0.62) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL22236658 0.88 SLC28A1 (0.49) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2

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
US-9914924-B2 Methods and compositions for treating neurological disease UNIVERSITY OF MASSACHUSETTS (US) 2018-03-13 US disclosed