SCHEMBL7350704

SCHEMBL7350704

C#CCC(=O)NC.NC(=O)C(OCc1ccccc1)C(O)C(O)C(OCc1ccccc1)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 3/20 0.44
SLC1A1 P43005 3/20 0.44
SLC1A3 P43003 2/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP3A4 P08684 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LTA4H P09960 1/20 0.34
PSMB5 P28074 1/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL7977999 0.83 SLC1A3 (0.60) SLC1A2SLC1A1SLC1A3MEN1CYP1A2
SCHEMBL7792911 0.75 SLC1A3 (0.51) SLC1A2SLC1A1SLC1A3MEN1CYP1A2
SCHEMBL7792930 0.68 IDO1 (0.44) SLC1A2SLC1A1SLC1A3MEN1CYP1A2
SCHEMBL5967843 0.68 MMP9 (0.50) SLC1A2SLC1A1SLC1A3MEN1CYP1A2
SCHEMBL5967818 0.68 MMP8 (0.55)
SCHEMBL5967816 0.68 MMP1 (0.48) SLC1A2SLC1A1SLC1A3MEN1CYP1A2
SCHEMBL5967853 0.68 MMP1 (0.48) SLC1A2SLC1A1SLC1A3MEN1CYP1A2
SCHEMBL7967798 0.67 SLC1A1 (0.51) SLC1A2SLC1A1SLC1A3MEN1CYP1A2
SCHEMBL7789787 0.67 SLC1A1 (0.51) SLC1A2SLC1A1SLC1A3MEN1CYP1A2
SCHEMBL7784358 0.67 SLC1A3 (0.51) SLC1A2SLC1A1SLC1A3MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1005493-A1 ANTIVIRAL PROTEASE INHIBITORS MEDIVIR AB (SE) 2000-06-07 EP disclosed
WO-1998045330-A1 ANTIVIRAL PROTEASE INHIBITORS MEDIVIR AB (SE) 1998-10-15 WO disclosed