SCHEMBL3817626

SCHEMBL3817626

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

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
ADK P55263 1/20 0.34
ALDH1A1 P00352 1/20 0.32
CSNK2A2 P19784 2/20 0.30
CSNK2A1 P68400 2/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
PKM P14618 1/20 0.30
THRB P10828 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 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
SCHEMBL3820421 0.94 LMNA (0.49) LMNAADKALDH1A1HPGDRAB9A
SCHEMBL3818930 0.91 LMNA (0.44) LMNAADKALDH1A1THRBSMN1; SMN2
SCHEMBL12029798 0.87 LMNA (0.75) LMNAADKALDH1A1HPGDRAB9A
SCHEMBL12302023 0.87 LMNA (0.75) LMNAADKALDH1A1HPGDRAB9A
SCHEMBL3821461 0.87 LMNA (0.59) LMNAADKALDH1A1HPGDRAB9A
SCHEMBL8196421 0.87 LMNA (0.75) LMNAADKALDH1A1HPGDRAB9A
SCHEMBL12302015 0.87 LMNA (0.75) LMNAADKALDH1A1HPGDRAB9A
SCHEMBL12945763 0.87 LMNA (0.75) LMNAADKALDH1A1HPGDRAB9A
SCHEMBL13340646 0.87 LMNA (0.75) LMNAADKALDH1A1HPGDRAB9A
SCHEMBL285059 0.87 LMNA (0.75) LMNAADKALDH1A1HPGDRAB9A

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