SCHEMBL8773137

SCHEMBL8773137

OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](OCc3ccccc3)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.58
HRAS P01112 1/20 0.53
GJB2 P29033 1/20 0.50
LGALS3 P17931 2/20 0.49
LGALS9 O00182 1/20 0.49
LGALS1 P09382 1/20 0.49
LGALS7; LGALS7B P47929 1/20 0.49
TYR P14679 2/20 0.46
PTPN1 P18031 1/20 0.46
LGALS8 O00214 1/20 0.46
LGALS4 P56470 1/20 0.46

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
SCHEMBL8517268 0.92 SLC6A2 (0.62) SLC6A2HRASGJB2PTPN1LGALS8
SCHEMBL8378459 0.92 SLC6A2 (0.62) SLC6A2HRASGJB2PTPN1LGALS8
SCHEMBL5497498 0.89 SLC6A2 (0.58) SLC6A2HRASLGALS3LGALS9LGALS1
SCHEMBL5497489 0.89 SLC6A2 (0.58) SLC6A2HRASLGALS3LGALS9LGALS1
SCHEMBL14974641 0.86 SLC6A2 (0.57) SLC6A2HRASGJB2PTPN1
SCHEMBL14975585 0.86 SLC6A2 (0.57) SLC6A2HRASGJB2PTPN1
SCHEMBL6552396 0.86 SLC6A2 (0.50) SLC6A2HRASGJB2LGALS8
SCHEMBL6552387 0.86 SLC6A2 (0.50) SLC6A2HRASGJB2LGALS8
SCHEMBL5265599 0.86 SLC6A2 (0.56) SLC6A2HRASLGALS8
SCHEMBL4279552 0.86 SLC6A2 (0.56) SLC6A2HRASLGALS8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0439585-B1 IMMOBILISATION OF LIGANDS BY RADIO-DERIVATIZED POLYMERS MAG GEORG MAYRHOFER & CO OHG (AT) 1997-10-29 EP disclosed
EP-0439585-A1 IMMOBILISATION OF LIGANDS BY RADIO-DERIVATIZED POLYMERS. EPIPHARM ALLERGIE SERVICE (AT) 1991-08-07 EP disclosed
WO-1991002768-A1 IMMOBILISATION OF LIGANDS BY RADIO-DERIVATIZED POLYMERS EPIPHARM ALLERGIE-SERVICE GESELLSCHAFT M.B.H. (AT) 1991-03-07 WO disclosed