SCHEMBL7707686

SCHEMBL7707686

CC(=O)O[C@H]1O[C@](COC(=O)c2ccccc2)([C@@](O)(CO)C(=O)c2ccccc2)[C@@](O)(Cc2ccccc2)[C@H]1OC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 19/20 0.35
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL7832703 0.78 KMT2A (0.37) ABCB1SLC6A2SLC6A3KMT2ATDP1
SCHEMBL20444761 0.67 ABCB1 (0.46) ABCB1KMT2A
SCHEMBL5663231 0.67 ALDH1A1 (0.44) ABCB1SLC6A2SLC6A3KMT2ATDP1
SCHEMBL2770405 0.64 SLC6A2 (0.38) ABCB1SLC6A2SLC6A3KMT2ATDP1
SCHEMBL2770402 0.64 SLC6A2 (0.38) ABCB1SLC6A2SLC6A3KMT2ATDP1
SCHEMBL6098831 0.64 ABCB1 (0.43) ABCB1
SCHEMBL6098828 0.64 ABCB1 (0.43) ABCB1
SCHEMBL6098791 0.64 ABCB1 (0.48) ABCB1
SCHEMBL6098794 0.64 ABCB1 (0.48) ABCB1
SCHEMBL6099143 0.64 ABCB1 (0.43) ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1178999-A2 L-RIBO-LNA ANALOGUES Exiqon A/S (DK) 2002-02-13 — — EP disclosed
WO-2000066604-A2 L-RIBO-LNA ANALOGUES EXIQON A/S (DK) 2000-11-09 — — WO disclosed
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