SCHEMBL181126

SCHEMBL181126

C=CCOC1O[C@H](CO)[C@@H](OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.47
SSTR1 P30872 3/20 0.42
SSTR2 P30874 3/20 0.42
SSTR4 P31391 3/20 0.42
SSTR3 P32745 3/20 0.42
SSTR5 P35346 3/20 0.42
PTPN1 P18031 5/20 0.42
CDC25B P30305 5/20 0.42
TACR2 P21452 1/20 0.41
BCHE P06276 1/20 0.40
PTPN2 P17706 2/20 0.40
PTPN6 P29350 2/20 0.40
PTPN11 Q06124 2/20 0.40
PDPK1 O15530 1/20 0.40
MTOR P42345 1/20 0.40

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
SCHEMBL181077 1.00 SLC6A2 (0.47) SLC6A2SSTR1SSTR2SSTR4SSTR3
SCHEMBL181127 1.00 SLC6A2 (0.47) SLC6A2SSTR1SSTR2SSTR4SSTR3
SCHEMBL16581477 1.00 SLC6A2 (0.47) SLC6A2SSTR1SSTR2SSTR4SSTR3
SCHEMBL6929599 1.00 SLC6A2 (0.47) SLC6A2SSTR1SSTR2SSTR4SSTR3
SCHEMBL2172329 1.00 SLC6A2 (0.47) SLC6A2SSTR1SSTR2SSTR4SSTR3
SCHEMBL9853879 0.96 SLC6A2 (0.47) SLC6A2SSTR1SSTR2SSTR4SSTR3
SCHEMBL9853878 0.96 SLC6A2 (0.47) SLC6A2SSTR1SSTR2SSTR4SSTR3
SCHEMBL1776774 0.95 SLC6A2 (0.47) SLC6A2SSTR1SSTR2SSTR4SSTR3
SCHEMBL13224920 0.90 SLC6A2 (0.56) SLC6A2BCHE
SCHEMBL2536430 0.90 SLC6A2 (0.56) SLC6A2BCHE

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-2334687-B9 DIOXA-BICYCLO[3.2.1.]OCTANE-2,3,4-TRIOL DERIVATIVES PFIZER (US) 2012-08-08 EP disclosed
EP-2334687-B1 DIOXA-BICYCLO[3.2.1.]OCTANE-2,3,4-TRIOL DERIVATIVES PFIZER (US) 2012-01-04 EP disclosed