SCHEMBL432100

SCHEMBL432100

CC(=O)N[C@H]1[C@@H](OP(=O)(OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)OP(=O)(O)O)O[C@H](CO)[C@@H](O)[C@@H]1O

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ P2RY14 Q15391 8/20 0.82
▸ P2RY6 Q15077 10/20 0.81
▸ P2RY2 P41231 9/20 0.81
▸ P2RY4 P51582 8/20 0.81
▸ OGT O15294 2/20 0.68

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
SCHEMBL1521304 1.00 P2RY14 (0.82) P2RY14P2RY6P2RY2P2RY4OGT
SCHEMBL1521046 0.95 P2RY14 (0.74) P2RY14P2RY6P2RY2P2RY4OGT
SCHEMBL1521075 0.95 P2RY14 (0.74) P2RY14P2RY6P2RY2P2RY4OGT
SCHEMBL23344493 0.90 P2RY14 (1.00) P2RY14P2RY6P2RY2P2RY4OGT
SCHEMBL15433957 0.90 P2RY14 (1.00) P2RY14P2RY6P2RY2P2RY4OGT
SCHEMBL14281873 0.90 P2RY14 (1.00) P2RY14P2RY6P2RY2P2RY4OGT
SCHEMBL12377962 0.90 P2RY14 (1.00) P2RY14P2RY6P2RY2P2RY4OGT
SCHEMBL1521296 0.90 P2RY14 (1.00) P2RY14P2RY6P2RY2P2RY4OGT
SCHEMBL20718791 0.90 P2RY14 (1.00) P2RY14P2RY6P2RY2P2RY4OGT
SCHEMBL16138527 0.90 P2RY14 (1.00) P2RY14P2RY6P2RY2P2RY4OGT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9708590-B2 Crystal structure of human α-N-acetylglucosaminidase SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2017-07-18 — — US disclosed
EP-2975134-A2 CRYSTAL STRUCTURE OF HUMAN ALPHA-N-ACETYLGLUCOSAMINIDASE Shire Human Genetic Therapies, Inc. (US) 2016-01-20 — — EP disclosed
EP-2596123-B1 CRYSTAL STRUCTURE OF HUMAN ALPHA-N-ACETYLGLUCOSAMINIDASE SHIRE HUMAN GENETIC THERAPIES (US) 2015-11-25 — — EP disclosed
US-20150031112-A1 Crystal structure of human alpha-n-acetylglucosaminidase SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2015-01-29 — — US disclosed
US-8775146-B2 Crystal structure of human alpha-N-acetylglucosaminidase SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2014-07-08 — — US disclosed
US-20120021436-A1 Crystal structure of human alpha-N-acetylglucosaminidase SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2012-01-26 — — US disclosed
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