SCHEMBL24864489

SCHEMBL24864489

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

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL24864538 0.85 CYP2D6 (0.32) BLMPMP22HSD17B10
SCHEMBL24864554 0.83
SCHEMBL24864626 0.81 BLM (0.38) BLMPMP22HSD17B10
SCHEMBL24864567 0.79 BLM (0.36) BLMPMP22HSD17B10
SCHEMBL24864488 0.78 HDAC3 (0.33) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL944740 0.77 BLM (0.36) BLMPMP22HSD17B10
SCHEMBL24864460 0.77 BLM (0.62) BLMPMP22HSD17B10
SCHEMBL5737163 0.76 STING1 (0.37) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL5735427 0.76 STING1 (0.37) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL18843243 0.76 STING1 (0.37) HDAC3HDAC1HDAC2HDAC8HDAC6

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