SCHEMBL3395769

SCHEMBL3395769

CC(O)N(c1nc(N2CCCCCCC2)c2nc(N(C(C)O)C(C)O)nc(N3CCCCCCC3)c2n1)C(C)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 14/20 0.54
ALDH1A1 P00352 3/20 0.54
LMNA P02545 2/20 0.54
TSHR P16473 2/20 0.54
PDE4A P27815 2/20 0.54
PDE4B Q07343 2/20 0.54
PDE4C Q08493 2/20 0.54
PDE4D Q08499 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
PDE2A O00408 1/20 0.54
RGS12 O14924 1/20 0.54
SLC22A2 O15244 1/20 0.54
SLC22A1 O15245 1/20 0.54
ABCC4 O15439 1/20 0.54
ABCC5 O15440 1/20 0.54
PDE6D O43924 1/20 0.54
PDE8A O60658 1/20 0.54
GMNN O75496 1/20 0.54
USP2 O75604 1/20 0.54

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
SCHEMBL141541 1.00 SLC29A1 (0.54) SLC29A1ALDH1A1LMNATSHRPDE4A
SCHEMBL15065643 0.93 SLC29A1 (0.48) SLC29A1ALDH1A1LMNATSHRPDE4A
SCHEMBL7446838 0.91 SLC29A1 (0.47) SLC29A1ALDH1A1LMNATSHRPDE4A
SCHEMBL9565592 0.90 SLC29A1 (0.49) SLC29A1ALDH1A1LMNATSHRPDE4A
SCHEMBL11564661 0.85 SLC29A1 (0.42) SLC29A1ALDH1A1LMNATSHRPDE4A
SCHEMBL9351966 0.85 SLC29A1 (0.56) SLC29A1ALDH1A1LMNATSHRPDE4A
SCHEMBL1956785 0.85 SLC29A1 (0.41) SLC29A1ALDH1A1LMNATSHRPDE4A
SCHEMBL2459706 0.84 SLC29A1 (0.41) SLC29A1ALDH1A1LMNATSHRPDE4A
SCHEMBL2458640 0.84 SLC29A1 (0.41) SLC29A1ALDH1A1LMNATSHRPDE4A
SCHEMBL4077875 0.84 SLC29A1 (0.43) SLC29A1ALDH1A1LMNATSHRPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2248523-A1 Compounds for use in the treatment of clinical conditions resulting from a deficit of endothelial progenitor cells Universität zu Köln (DE) 2010-11-10 EP claimed
EP-2248523-A1 Compounds for use in the treatment of clinical conditions resulting from a deficit of endothelial progenitor cells Universität zu Köln (DE) 2010-11-10 EP disclosed
EP-2248523-A1 Compounds for use in the treatment of clinical conditions resulting from a deficit of endothelial progenitor cells Universität zu Köln (DE) 2010-11-10 EP disclosed