SCHEMBL6026929

SCHEMBL6026929

CC(C)C(N)C(=O)OC(CC(=O)OCc1ccccc1)C(=O)O.CC(C)C(N)C(=O)OC(CC(=O)OCc1ccccc1)C(OC(=O)C(N)C(C)C)C(=O)O.CCC(C)C(N)C(=O)OC(CC(=O)OCc1ccccc1)C(=O)O.CCC(C)C(N)C(=O)OC(CC(=O)OCc1ccccc1)C(OC(=O)C(N)C(C)CC)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 2/20 0.52
SLC1A3 P43003 2/20 0.39
SLC1A2 P43004 2/20 0.39
SLC1A1 P43005 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ABCB1 P08183 2/20 0.36
CA1 P00915 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 2/20 0.35

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
SCHEMBL8127599 1.00 SLC15A1 (0.52) SLC15A1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL3736352 0.92 SLC15A1 (0.54) SLC15A1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL3736348 0.92 SLC15A1 (0.54) SLC15A1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL3739322 0.91 SLC15A1 (0.61) SLC15A1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL3739319 0.91 SLC15A1 (0.61) SLC15A1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL3729946 0.89 SLC15A1 (0.56) SLC15A1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL3729951 0.89 SLC15A1 (0.56) SLC15A1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL3733628 0.87 SLC15A1 (0.65) SLC15A1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL3733625 0.87 SLC15A1 (0.65) SLC15A1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL8127715 0.85 MMP1 (0.33) SLC15A1MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7071173-B2 Antiviral methods employing double esters of 2′, 3′-dideoxy-3′-fluoroguanosine MEDIVIR AB (SE) 2006-07-04 US disclosed