SCHEMBL7832703

SCHEMBL7832703

CC(=O)O[C@H]1O[C@](COC(=O)c2ccccc2)([C@@](O)(CO)C(=O)c2ccccc2)[C@H](OCc2ccccc2)[C@H]1OC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ ABCB1 P08183 12/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ PRKCA P17252 1/20 0.35
▸ CYP2D6 P10635 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ GSTP1 P09211 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
SCHEMBL5663231 0.80 ALDH1A1 (0.44) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL2770405 0.78 SLC6A2 (0.38) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL2770402 0.78 SLC6A2 (0.38) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL7707686 0.78 ABCB1 (0.35) KMT2ASLC6A2SLC6A3TDP1ABCB1
SCHEMBL20444761 0.74 ABCB1 (0.46) KMT2AABCB1
SCHEMBL20960060 0.72 ALDH1A1 (0.43) KMT2ALMNAALDH1A1CYP2D6MAPK1
SCHEMBL1098278 0.72 ALDH1A1 (0.42) KMT2ALMNAABCB1ALDH1A1PRKCA
SCHEMBL1098275 0.72 ALDH1A1 (0.42) KMT2ALMNAABCB1ALDH1A1PRKCA
SCHEMBL4293682 0.71 SLC6A2 (0.43) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL4293686 0.71 SLC6A2 (0.43) KMT2ASLC6A2SLC6A3TDP1LMNA

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-1161439-A1 XYLO-LNA ANALOGUES Exiqon A/S (DK) 2001-12-12 — — EP disclosed
WO-2000056748-A1 XYLO-LNA ANALOGUES EXIQON A/S (DK) 2000-09-28 — — WO disclosed
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