SCHEMBL7896895

SCHEMBL7896895

CC(=O)N[C@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1NC(=O)CCCCCN

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PYGB P11216 7/20 0.50
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
MAPK1 P28482 2/20 0.47
GAA P10253 1/20 0.46
ALDH1A1 P00352 1/20 0.44
THRB P10828 1/20 0.44
CD69 Q07108 1/20 0.43
EPHX2 P34913 1/20 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
SCHEMBL7896886 1.00 PYGB (0.50) PYGBCA1CA2CA9MAPK1
SCHEMBL29363859 1.00 PYGB (0.50) PYGBCA1CA2CA9MAPK1
SCHEMBL24997326 0.87 MAPK1 (0.49) PYGBCA1CA2CA9MAPK1
SCHEMBL16393092 0.86 PYGB (0.53) PYGBCA1CA2CA9MAPK1
SCHEMBL11439690 0.84 PYGB (0.65) PYGBCA1CA2CA9GAA
SCHEMBL11439958 0.84 PYGB (0.65) PYGBCA1CA2CA9GAA
SCHEMBL11435473 0.84 PYGB (0.65) PYGBCA1CA2CA9GAA
SCHEMBL9126216 0.84 PYGB (0.65) PYGBCA1CA2CA9GAA
SCHEMBL8817489 0.84 PYGB (0.65) PYGBCA1CA2CA9GAA
SCHEMBL888575 0.84 PYGB (0.65) PYGBCA1CA2CA9GAA

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-6187762-B1 FUCOSIDE CONTAINING POLYMER GELTEX PHARMACEUTICALS, INC. 2001-02-13 US disclosed
US-5891862-A VIRICIDES AND ACRYLAMIDE POLYMERS GELTEX PHARMACEUTICALS, INC. (US) 1999-04-06 US disclosed