SCHEMBL28650165

SCHEMBL28650165

CC1(C)OC(=O)C(CC(=O)CCl)C(=O)O1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
BACE1 P56817 1/20 0.33
MDM2 Q00987 1/20 0.30

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
SCHEMBL12965059 0.75 BACE1 (0.38) GLANPSR1BACE1
SCHEMBL9200946 0.74 GAA (0.46) GLANPSR1BACE1
SCHEMBL29105053 0.74 GAA (0.41) GLANPSR1
SCHEMBL18556773 0.67 GLA (0.41) GLANPSR1BACE1
SCHEMBL22975210 0.66 GLA (0.35) GLANPSR1BACE1
SCHEMBL21999082 0.66 GLA (0.43) GLANPSR1BACE1MDM2
SCHEMBL16378065 0.65 GLA (0.40) GLANPSR1BACE1
SCHEMBL24180324 0.64 GLA (0.43) GLANPSR1BACE1
SCHEMBL31440186 0.64 KDM4E (0.42) GLANPSR1BACE1
SCHEMBL5834741 0.64 GLA (0.42) GLANPSR1BACE1MDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113582866-A Preparation method of 5-aminolevulinic acid hydrochloride 山东威高药业股份有限公司 2021-11-02 CN disclosed