SCHEMBL6885580

SCHEMBL6885580

COc1ncnc2nc([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.47
▸ PTPN1 P18031 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.42
▸ LMNA P02545 4/20 0.42
▸ MAPT P10636 3/20 0.42
▸ TP53 P04637 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ THRB P10828 2/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ CYP2D6 P10635 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CA12 O43570 7/20 0.38
▸ CA9 Q16790 6/20 0.38
▸ CA1 P00915 6/20 0.38
▸ CA2 P00918 5/20 0.38
▸ CA4 P22748 1/20 0.36
▸ CA5A P35218 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
SCHEMBL6887838 0.88 TSHR (0.49) TSHRPTPN1ALDH1A1LMNAMAPT
SCHEMBL6888269 0.87 TSHR (0.38) TSHRPTPN1ALDH1A1LMNAMAPT
SCHEMBL6885775 0.85 TSHR (0.47) TSHRPTPN1ALDH1A1LMNAMAPT
SCHEMBL10934583 0.83 TSHR (0.43) TSHRPTPN1ALDH1A1LMNAMAPT
SCHEMBL6746384 0.80 TSHR (0.49) TSHRPTPN1ALDH1A1LMNAMAPT
SCHEMBL11407341 0.78 TSHR (0.54) TSHRPTPN1ALDH1A1LMNAMAPT
SCHEMBL6884785 0.78 ALDH1A1 (0.52) TSHRPTPN1ALDH1A1LMNAMAPT
SCHEMBL8593099 0.77 TSHR (0.47) TSHRPTPN1ALDH1A1LMNAMAPT
SCHEMBL8595649 0.77 TSHR (0.47) TSHRPTPN1ALDH1A1LMNAMAPT
SCHEMBL8595566 0.77 TSHR (0.47) TSHRPTPN1ALDH1A1LMNAMAPT

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-1411954-A2 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION Pharmasset Limited (BB) 2004-04-28 — — EP disclosed
WO-2002032920-A2 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION PHARMASSET LIMITED (BB) 2002-04-25 — — WO disclosed
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