SCHEMBL20897004

SCHEMBL20897004

CCCCCN[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 12/20 0.56
▸ MAPK1 P28482 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ PYGB P11216 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
SCHEMBL3832277 1.00 GBA1 (0.56) GBA1MAPK1KDM4ELMNACYP2D6
SCHEMBL23906986 1.00 GBA1 (0.56) GBA1MAPK1KDM4ELMNACYP2D6
SCHEMBL13281078 1.00 GBA1 (0.56) GBA1MAPK1KDM4ELMNACYP2D6
SCHEMBL13281076 1.00 GBA1 (0.56) GBA1MAPK1KDM4ELMNACYP2D6
SCHEMBL30731536 0.98 GBA1 (0.59) GBA1MAPK1KDM4ELMNACYP2D6
SCHEMBL28491427 0.98 GBA1 (0.59) GBA1MAPK1KDM4ELMNACYP2D6
Hexane SCHEMBL28784867 0.98 GBA1 (0.59) GBA1MAPK1KDM4ELMNACYP2D6
SCHEMBL10786697 0.98 GBA1 (0.59) GBA1MAPK1KDM4ELMNACYP2D6
SCHEMBL23787746 0.98 GBA1 (0.59) GBA1MAPK1KDM4ELMNACYP2D6
SCHEMBL29120516 0.98 GBA1 (0.59) GBA1MAPK1KDM4ELMNACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102838639-A Synthetic method of N-aryl-D-glucosamine HUAIHAI INST TECHNOLOGY 2012-12-26 — — CN claimed
US-20190110971-A1 COMPOSITIONS FOR MANAGING PLAQUE FORMATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-04-18 — — US disclosed
CN-102838639-A Synthetic method of N-aryl-D-glucosamine HUAIHAI INST TECHNOLOGY 2012-12-26 — — CN disclosed
CN-102838639-A Synthetic method of N-aryl-D-glucosamine HUAIHAI INST TECHNOLOGY 2012-12-26 — — CN disclosed
CN-102838639-A Synthetic method of N-aryl-D-glucosamine HUAIHAI INST TECHNOLOGY 2012-12-26 — — CN disclosed
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