SCHEMBL24864488

SCHEMBL24864488

CC(C)(C)OC(=O)CCOCCOCCOCCOCCN(C(CO)CO)C(CO)CO

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL1536707 0.80 STING1 (0.37) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL29155906 0.80 STING1 (0.37) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL18843243 0.80 STING1 (0.37) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL5735427 0.80 STING1 (0.37) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL5737163 0.80 STING1 (0.37) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL25933065 0.80 STING1 (0.37) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL31524058 0.79 CA12 (0.40)
SCHEMBL18059176 0.79 CA12 (0.40)
SCHEMBL31524088 0.79 CA12 (0.40)
SCHEMBL24864342 0.79 BLM (0.33)

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
WO-2023280227-A2 LINKERS, DRUG LINKERS AND CONJUGATES THEREOF AND METHODS OF USING THE SAME PROFOUNDBIO US CO. (US) 2023-01-12 WO disclosed