SCHEMBL3821748

SCHEMBL3821748

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.53
ADK P55263 1/20 0.34
RAB9A P51151 4/20 0.32
HPGD P15428 1/20 0.32
ACHE P22303 2/20 0.32
NPC1 O15118 3/20 0.31
CASP1 P29466 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
TP53 P04637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
CYP1A2 P05177 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
STAT1 P42224 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 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
SCHEMBL3820460 0.97 LMNA (0.57) LMNAADKRAB9AHPGDACHE
SCHEMBL3817213 0.95 LMNA (0.49) LMNAADKRAB9AHPGDACHE
SCHEMBL3819216 0.91 LMNA (0.44) LMNAADKACHEALDH1A1MAPT
SCHEMBL7204677 0.88 LMNA (0.42) LMNAADKACHEALDH1A1MAPT
SCHEMBL8193895 0.88 LMNA (0.42) LMNAADKACHEALDH1A1MAPT
SCHEMBL9056539 0.87 LMNA (0.70) LMNAADKRAB9AHPGDNPC1
SCHEMBL3821749 0.87 LMNA (0.56) LMNAADKRAB9AHPGDNPC1
SCHEMBL3817143 0.85 LMNA (0.39) LMNAADKRAB9AACHENPC1
SCHEMBL12302023 0.84 LMNA (0.75) LMNAADKRAB9AHPGDALDH1A1
SCHEMBL8196421 0.84 LMNA (0.75) LMNAADKRAB9AHPGDALDH1A1

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