SCHEMBL24864347

SCHEMBL24864347

CC(C)(C)OC(=O)CCOCCOCCOCCOCCNC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CA1 P00915 13/20 0.42
CA2 P00918 13/20 0.42
TLR2 O60603 2/20 0.36
TLR1 Q15399 2/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
SLC9A3 P48764 4/20 0.36
CA4 P22748 1/20 0.36

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
SCHEMBL24864460 0.84 BLM (0.62) BLMPMP22HSD17B10CA1CA2
SCHEMBL27291342 0.83 BLM (0.49) BLMPMP22HSD17B10CA1CA2
SCHEMBL16995563 0.82 BLM (0.43) BLMPMP22HSD17B10CA1CA2
SCHEMBL29594603 0.81 TLR2 (0.41) CA1CA2TLR2TLR1CA12
SCHEMBL21611677 0.81 TLR2 (0.41) CA1CA2TLR2TLR1CA12
SCHEMBL25330597 0.81 TLR2 (0.41) CA1CA2TLR2TLR1CA12
SCHEMBL15676126 0.80 TLR2 (0.38) CA1CA2TLR2TLR1CA12
SCHEMBL29344308 0.80 BLM (0.51) BLMPMP22HSD17B10CA1CA2
SCHEMBL15508735 0.80 BLM (0.45) BLMPMP22HSD17B10CA1CA2
SCHEMBL16995569 0.80 BLM (0.45) BLMPMP22HSD17B10CA1CA2

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