SCHEMBL20211016

SCHEMBL20211016

Cc1cc(C2OC(CO)C(O)C(O)C2O)ccc1-c1ccc(C2OC(CO)C(O)C(O)C2O)cc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 20/20 0.62
SLC5A1 P13866 2/20 0.53
ABCB11 O95342 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
SLC6A4 P31645 1/20 0.53
SLC6A3 Q01959 1/20 0.53

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
SCHEMBL15836914 1.00 SLC5A2 (0.62) SLC5A2SLC5A1ABCB11ADORA3SLC6A4
SCHEMBL15836819 0.90 SLC5A2 (0.58) SLC5A2SLC5A1ABCB11ADORA3SLC6A4
SCHEMBL5020077 0.85 SLC5A2 (0.64) SLC5A2SLC5A1
SCHEMBL15836921 0.84 SLC5A2 (0.61) SLC5A2SLC5A1
SCHEMBL20211039 0.84 SLC5A2 (0.61) SLC5A2SLC5A1
SCHEMBL15825405 0.83 SLC5A2 (0.67) SLC5A2SLC5A1
SCHEMBL20221153 0.83 SLC5A2 (0.67) SLC5A2SLC5A1
SCHEMBL15836920 0.83 SLC5A2 (0.67) SLC5A2SLC5A1
SCHEMBL15836917 0.83 SLC5A2 (0.58) SLC5A2SLC5A1ABCB11ADORA3SLC6A4
SCHEMBL20211013 0.83 SLC5A2 (0.58) SLC5A2SLC5A1ABCB11ADORA3SLC6A4

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-3388441-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS Vertex Pharmaceuticals Incorporated (US) 2018-10-17 EP disclosed
EP-2935302-B1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMA (US) 2018-06-06 EP disclosed