SCHEMBL28909474

SCHEMBL28909474

CC(C)C(=O)C#CCCOC(=O)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PRKCA P17252 1/20 0.35

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
SCHEMBL28909478 0.76
SCHEMBL31390452 0.75
SCHEMBL10735945 0.71 PRKCA (0.42) POLBGAANPSR1PRKCA
SCHEMBL8334928 0.70 MEN1 (0.40) POLBGAANPSR1PRKCA
SCHEMBL8247883 0.70 MEN1 (0.46) POLBGAANPSR1PRKCA
SCHEMBL4258156 0.70 POLB (0.48) POLBGAANPSR1PRKCA
SCHEMBL2121938 0.69 GRIK1 (0.35) NPSR1
SCHEMBL28909520 0.69
SCHEMBL28586646 0.68 MEN1 (0.44) POLBGAANPSR1PRKCA
SCHEMBL12076232 0.67 ALOX15 (0.44) POLBGAANPSR1PRKCA

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-115322211-A Preparation method of alkenyl-substituted-alpha-hydroxy borate compound 香港科技大学深圳研究院 2022-11-11 CN disclosed