SCHEMBL3825870

SCHEMBL3825870

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

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.60
ADK P55263 10/20 0.43
P2RY6 Q15077 2/20 0.34
TSHR P16473 1/20 0.34
MAPT P10636 1/20 0.34
PMP22 Q01453 1/20 0.34
HBB P68871 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL3820963 0.92 LMNA (0.66) LMNAADKP2RY6TSHRMAPT
SCHEMBL8193385 0.90 LMNA (0.63) LMNAADKTSHRMAPTPMP22
SCHEMBL7205155 0.90 LMNA (0.63) LMNAADKTSHRMAPTPMP22
SCHEMBL3820226 0.90 LMNA (0.54) LMNAADKP2RY6TSHRMAPT
SCHEMBL3817838 0.90 LMNA (0.56) LMNAADKP2RY6TSHRMAPT
SCHEMBL3821913 0.90 LMNA (0.76) LMNAADK
SCHEMBL7205091 0.90 LMNA (0.60) LMNAADKP2RY6TSHRMAPT
SCHEMBL3824606 0.90 LMNA (0.55) LMNAADKP2RY6TSHRMAPT
SCHEMBL8198722 0.90 LMNA (0.60) LMNAADKP2RY6TSHRMAPT
SCHEMBL3819090 0.90 LMNA (0.55) LMNAADKP2RY6TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882734-B1 5'-Deoxy-cytidine derivatives HOFFMANN LA ROCHE (CH) 2009-08-26 EP claimed
EP-0882734-A2 5'-Deoxy-cytidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 1998-12-09 EP claimed
EP-0882734-B1 5'-Deoxy-cytidine derivatives HOFFMANN LA ROCHE (CH) 2009-08-26 EP disclosed
US-6211166-B1 COADMINISTERED WITH A 5-FLUOROURACIL DERIVATIVE; ANTICARCINOGENIC AGENTS HOFFMAN-LA ROCHE INC. 2001-04-03 US disclosed
EP-0882734-A2 5'-Deoxy-cytidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 1998-12-09 EP disclosed