SCHEMBL16745291

SCHEMBL16745291

[2H][C@@]1(O[C@@H]2C(NC(C)=O)[C@]([2H])(C)OC(CO)[C@H]2O)OC(C(=O)O)[C@@]([2H])(OC)[C@H](O)C1O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ CD69 Q07108 1/20 0.36
▸ LGALS8 O00214 3/20 0.36
▸ LGALS3 P17931 6/20 0.36
▸ LGALS4 P56470 1/20 0.35
▸ LGALS1 P09382 1/20 0.35
▸ LGALS7; LGALS7B P47929 1/20 0.35
▸ LGALS9 O00182 1/20 0.34
▸ CHIA Q9BZP6 1/20 0.33
▸ NOD2 Q9HC29 1/20 0.33
▸ PYGB P11216 1/20 0.33

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
SCHEMBL17932983 0.93 MAPK1 (0.38) MAPK1ALDH1A1THRBCD69LGALS8
SCHEMBL17932990 0.91 MAPK1 (0.43) MAPK1ALDH1A1THRBCD69LGALS8
SCHEMBL16745289 0.78 MAPK1 (0.41) MAPK1ALDH1A1THRBCD69LGALS8
SCHEMBL7006551 0.71 MAPK1 (0.45) MAPK1ALDH1A1THRBCD69LGALS8
SCHEMBL17072293 0.71 MAPK1 (0.45) MAPK1ALDH1A1THRBCD69LGALS8
SCHEMBL20216524 0.71 MAPK1 (0.45) MAPK1ALDH1A1THRBCD69LGALS8
SCHEMBL11989411 0.71 MAPK1 (0.45) MAPK1ALDH1A1THRBCD69LGALS8
SCHEMBL25121361 0.70 MAPK1 (0.44) MAPK1ALDH1A1THRBCD69LGALS8
SCHEMBL18254178 0.70 MAPK1 (0.44) MAPK1ALDH1A1THRBCD69LGALS8
SCHEMBL15082697 0.70 MAPK1 (0.44) MAPK1ALDH1A1THRBCD69LGALS8

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-9187576-B2 Deuterium-enriched hyaluronan DEUTERIA BIOMATERIALS, LLC (US) 2015-11-17 — — US disclosed
US-20150148310-A1 DEUTERIUM-ENRICHED HYALURONAN DEUTERIA BIOMATERIALS, LLC 2015-05-28 — — US disclosed
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