SCHEMBL5505065

SCHEMBL5505065

Cn1nnnc1SCC(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(C=C3CCN(CC4CC4)C3=O)CS[C@H]12.[Na]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 11/20 0.47
MAPT P10636 11/20 0.47
TDP1 Q9NUW8 10/20 0.47
ALDH1A1 P00352 5/20 0.46
CTDSP1 Q9GZU7 2/20 0.46
SLC22A6 Q4U2R8 2/20 0.45
SLC22A8 Q8TCC7 2/20 0.45
SLC22A11 Q9NSA0 2/20 0.45
NR1I2 O75469 2/20 0.45
PGR P06401 2/20 0.45
PPARG P37231 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 2/20 0.43
PDE3A Q14432 1/20 0.42
HSD17B10 Q99714 4/20 0.42
THRB P10828 1/20 0.42
TSHR P16473 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL5505061 0.92 TDP1 (0.46) POLBMAPTTDP1ALDH1A1CTDSP1
SCHEMBL5506576 0.89 POLB (0.48) POLBMAPTTDP1ALDH1A1CTDSP1
SCHEMBL5506559 0.87 POLB (0.48) POLBMAPTTDP1ALDH1A1CTDSP1
SCHEMBL7999481 0.86 KMT2A (0.44) POLBMAPTTDP1ALDH1A1SLC22A6
SCHEMBL5509276 0.86 MEN1 (0.44) POLBMAPTTDP1ALDH1A1CTDSP1
SCHEMBL7999469 0.85 MEN1 (0.44) POLBMAPTTDP1ALDH1A1CTDSP1
SCHEMBL5510443 0.84 CA5A (0.45) POLBMAPTTDP1CTDSP1NR1I2
SCHEMBL5502008 0.84 TDP1 (0.48) POLBMAPTTDP1ALDH1A1CTDSP1
SCHEMBL5502024 0.83 CA5A (0.50) POLBMAPTTDP1CTDSP1NR1I2
SCHEMBL5502011 0.83 CA5A (0.50) POLBMAPTTDP1CTDSP1NR1I2

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-0841339-B1 Vinylpyrrolidinon cephalosporin derivatives BASILEA PHARMACEUTICA AG (CH) 2007-02-21 EP disclosed
US-6294668-B1 ANTIBACTERIAL ACTIVITY AGAINST BETA-LACTAM SENSITIVE AND RESISTANT GRAM-POSITIVE BACTERIA, SUCH AS STAPHYLOCOCCI, PNEUMOCOCCI, AND ENTEROCOCCI; USED IN THERAPY OF INFECTIOUS DISEASES CAUSED BY THOSE BACTERIA HOFFMAN-LA ROCHE INC. 2001-09-25 US disclosed
EP-0841339-A1 Vinylpyrrolidinon cephalosporin derivatives F. HOFFMANN-LA ROCHE AG (CH) 1998-05-13 EP disclosed