SCHEMBL3822705

SCHEMBL3822705

C#Cc1cn([C@@H]2O[C@H](C)C(O)C2O)c(=O)nc1NC(=O)OCCC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
ADK P55263 8/20 0.42
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
SCHEMBL3819094 1.00 LMNA (0.58) LMNAADKTSHRMAPTPMP22
SCHEMBL7205842 0.92 LMNA (0.56) LMNAADKTSHRMAPTPMP22
SCHEMBL8193930 0.92 LMNA (0.56) LMNAADKTSHRMAPTPMP22
SCHEMBL3819090 0.91 LMNA (0.55) LMNAADKTSHRMAPTPMP22
SCHEMBL3824606 0.91 LMNA (0.55) LMNAADKTSHRMAPTPMP22
SCHEMBL3820963 0.90 LMNA (0.66) LMNAADKTSHRMAPTPMP22
SCHEMBL8198722 0.89 LMNA (0.60) LMNAADKTSHRMAPTPMP22
SCHEMBL7205091 0.89 LMNA (0.60) LMNAADKTSHRMAPTPMP22
SCHEMBL3825870 0.88 LMNA (0.60) LMNAADKTSHRMAPTPMP22
SCHEMBL7209579 0.88 LMNA (0.58) 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-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
US-6114520-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 2000-09-05 US disclosed
EP-0882734-A2 5'-Deoxy-cytidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 1998-12-09 EP disclosed