SCHEMBL4286474

SCHEMBL4286474

Cc1cc(C)c(CO[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)c(C)c1C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.38
BACE1 P56817 4/20 0.38
POLB P06746 1/20 0.38
SLC5A2 P31639 2/20 0.36
SLC28A3 Q9HAS3 3/20 0.35
CDK1 P06493 1/20 0.34
SLC6A2 P23975 1/20 0.34
TACR1 P25103 1/20 0.34
SLC2A1 P11166 1/20 0.33
PTPN1 P18031 1/20 0.33
SLC5A1 P13866 1/20 0.33
TYR P14679 1/20 0.33
EPHX2 P34913 1/20 0.32

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
SCHEMBL9001315 0.71 SLC6A2 (0.56) SLC5A2SLC6A2
SCHEMBL8517368 0.71 SLC6A2 (0.56) SLC5A2SLC6A2
SCHEMBL117780 0.71 SLC6A2 (0.56) SLC5A2SLC6A2
SCHEMBL5265599 0.71 SLC6A2 (0.56) SLC5A2SLC6A2
SCHEMBL4279552 0.71 SLC6A2 (0.56) SLC5A2SLC6A2
SCHEMBL7638059 0.71 SLC6A2 (0.56) SLC5A2SLC6A2
SCHEMBL5674181 0.71 SLC6A2 (0.56) SLC5A2SLC6A2
SCHEMBL8517068 0.71 SLC6A2 (0.56) SLC5A2SLC6A2
SCHEMBL9849302 0.71 SLC6A2 (0.56) SLC5A2SLC6A2
SCHEMBL17080335 0.71 SLC6A2 (0.56) SLC5A2SLC6A2

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
US-8802401-B2 Methods and compositions for preparation of selectively protected carbohydrates THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-08-12 US disclosed
US-20090124515-A1 METHODS AND COMPOSITIONS FOR PREPARATION OF SELECTIVELY PROTECTED CARBOHYDRATES THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2009-05-14 US disclosed