SCHEMBL7206540

SCHEMBL7206540

C[C@H]1O[C@@H](n2cc(I)c(NC(=O)OCCCOCc3ccccc3)nc2=O)[C@H](O)[C@@H]1O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
NAAA Q02083 2/20 0.49
ADK P55263 8/20 0.46
P2RY6 Q15077 4/20 0.40
P2RY14 Q15391 2/20 0.38
NT5E P21589 1/20 0.38

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
SCHEMBL8192195 1.00 LMNA (0.58) LMNANAAAADKP2RY6P2RY14
SCHEMBL3819600 0.89 LMNA (0.58) LMNANAAAADKP2RY6
SCHEMBL8193929 0.88 LMNA (0.66) LMNAADK
SCHEMBL7204493 0.88 LMNA (0.66) LMNAADK
SCHEMBL8197007 0.88 LMNA (0.56) LMNANAAAADKP2RY6P2RY14
SCHEMBL7210398 0.88 LMNA (0.56) LMNANAAAADKP2RY6P2RY14
SCHEMBL8197013 0.88 LMNA (0.56) LMNANAAAADKP2RY6P2RY14
SCHEMBL8193744 0.88 LMNA (0.56) LMNANAAAADKP2RY6P2RY14
SCHEMBL8193476 0.87 NAAA (0.46) LMNANAAAADK
SCHEMBL7210256 0.87 NAAA (0.46) LMNANAAAADK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1060183-B1 5'-DEOXYCYTIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP claimed
EP-1060183-A1 5'-DEOXYCYTIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-12-20 EP claimed
WO-1999040099-A1 5'-DEOXYCYTIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-08-12 WO claimed
EP-1060183-B1 5'-DEOXYCYTIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP disclosed
EP-1060183-A1 5'-DEOXYCYTIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-12-20 EP disclosed
WO-1999040099-A1 5'-DEOXYCYTIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-08-12 WO disclosed