SCHEMBL7204974

SCHEMBL7204974

C#Cc1cn([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)c(=O)nc1NC(=O)OCC(CC)(CC)COC

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
ADK P55263 7/20 0.38
TSHR P16473 1/20 0.30
MAPT P10636 1/20 0.30
PMP22 Q01453 1/20 0.30
HBB P68871 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL8199046 1.00 LMNA (0.53) LMNAADKTSHRMAPTPMP22
SCHEMBL7204402 0.90 LMNA (0.52) LMNAADKTSHRMAPTPMP22
SCHEMBL8192596 0.90 LMNA (0.52) LMNAADKTSHRMAPTPMP22
SCHEMBL3824606 0.88 LMNA (0.55) LMNAADKTSHRMAPTPMP22
SCHEMBL3819090 0.88 LMNA (0.55) LMNAADKTSHRMAPTPMP22
SCHEMBL8197145 0.87 LMNA (0.55) LMNAADK
SCHEMBL7208718 0.87 LMNA (0.55) LMNAADK
SCHEMBL3825870 0.87 LMNA (0.60) LMNAADKTSHRMAPTPMP22
SCHEMBL7205091 0.86 LMNA (0.60) LMNAADKTSHRMAPTPMP22
SCHEMBL8198722 0.86 LMNA (0.60) LMNAADKTSHRMAPTPMP22

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