SCHEMBL14763595

SCHEMBL14763595

CN(C)CC(=O)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H](N)C=O

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.35
USP2 O75604 1/20 0.33
SLCO1B1 Q9Y6L6 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
SCHEMBL17767399 0.84 PAX8 (0.38) PAX8USP2SLCO1B1
SCHEMBL5354996 0.83 USP2 (0.38) PAX8USP2SLCO1B1
SCHEMBL2842689 0.82 USP2 (0.37) PAX8USP2SLCO1B1
SCHEMBL1182040 0.80 PAX8 (0.40) PAX8USP2SLCO1B1
SCHEMBL2223103 0.80 PAX8 (0.40) PAX8USP2SLCO1B1
SCHEMBL9617278 0.80 PAX8 (0.40) PAX8USP2SLCO1B1
SCHEMBL9807657 0.79 USP2 (0.43) PAX8USP2SLCO1B1
SCHEMBL9807660 0.79 USP2 (0.43) PAX8USP2SLCO1B1
SCHEMBL1788963 0.78 PAX8 (0.41) PAX8USP2SLCO1B1
SCHEMBL17767377 0.78 PAX8 (0.41) PAX8USP2SLCO1B1

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
EP-2753310-B1 FORMULATION FOR THE CONTROLLED RELEASE OF ONE OR SEVERAL SUBSTANCES IN THE DIGESTIVE TRACT OF A MAMMAL SAUR BROSCH ROLAND (DE) 2021-03-24 EP disclosed
WO-2013035081-A2 FORMULATION FOR THE CONTROLLED RELEASE OF ONE OR SEVERAL SUBSTANCES IN THE DIGESTIVE TRACT OF A MAMMAL JÄNISCH, Melisa (DE) 2013-03-14 WO disclosed