SCHEMBL3817838

SCHEMBL3817838

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

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
ADK P55263 11/20 0.40
TSHR P16473 1/20 0.32
MAPT P10636 1/20 0.32
PMP22 Q01453 1/20 0.32
HBB P68871 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
P2RY6 Q15077 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
SCHEMBL3818931 0.93 LMNA (0.57) LMNAADKTSHR
SCHEMBL3819513 0.93 LMNA (0.56) LMNAADKTSHRMAPTPMP22
SCHEMBL3819387 0.91 LMNA (0.55) LMNAADKTSHRMAPTPMP22
SCHEMBL3825870 0.90 LMNA (0.60) LMNAADKTSHRMAPTPMP22
SCHEMBL3820493 0.89 LMNA (0.56) LMNAADKTSHRMAPTPMP22
SCHEMBL3820963 0.88 LMNA (0.66) LMNAADKTSHRMAPTPMP22
SCHEMBL8194027 0.88 LMNA (0.52) LMNAADKTSHRMAPTPMP22
SCHEMBL7205111 0.88 LMNA (0.52) LMNAADKTSHRMAPTPMP22
SCHEMBL3817494 0.87 LMNA (0.58) LMNAADKTSHRMAPTPMP22
SCHEMBL8192353 0.86 LMNA (0.74) 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 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