SCHEMBL7205155

SCHEMBL7205155

C#Cc1cn([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)c(=O)nc1NC(=O)OCCCOCC

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.63
ADK P55263 8/20 0.43
NAAA Q02083 1/20 0.31
TSHR P16473 2/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPT P10636 1/20 0.31
PMP22 Q01453 1/20 0.31
HBB P68871 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL8193385 1.00 LMNA (0.63) LMNAADKNAAATSHRHSD17B10
SCHEMBL3821913 0.91 LMNA (0.76) LMNAADK
SCHEMBL3819223 0.90 LMNA (0.75) LMNAADK
SCHEMBL3824213 0.90 LMNA (0.75) LMNAADK
SCHEMBL3826637 0.90 LMNA (0.75) LMNAADK
SCHEMBL3824216 0.90 LMNA (0.75) LMNAADK
SCHEMBL3818845 0.90 LMNA (0.75) LMNAADK
SCHEMBL3820963 0.90 LMNA (0.66) LMNAADKTSHRMAPTPMP22
SCHEMBL3825870 0.90 LMNA (0.60) LMNAADKTSHRMAPTPMP22
SCHEMBL8199285 0.89 LMNA (0.62) LMNAADKNAAATSHRMAPT

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 4 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-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