SCHEMBL5502013

SCHEMBL5502013

O=C(CCc1ccccc1)N[C@@H]1C(=O)N2C(C(=O)O)=C(/C=C3\CCN(Cc4cccc(O)c4)C3=O)CS[C@H]12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.51
MAPT P10636 2/20 0.51
POLB P06746 1/20 0.51
PKM P14618 1/20 0.51
HTT P42858 1/20 0.51
DUSP3 P51452 1/20 0.51
PTPN5 P54829 1/20 0.51
PTPN11 Q06124 1/20 0.51
MAPK1 P28482 1/20 0.46
SPOP O43791 7/20 0.42
DRD2 P14416 1/20 0.40
PTGS2 P35354 1/20 0.40
DRD3 P35462 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NAPEPLD Q6IQ20 1/20 0.40
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38

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
SCHEMBL5502023 1.00 TDP1 (0.51) TDP1MAPTPOLBPKMHTT
SCHEMBL8708140 0.89 TDP1 (0.49) TDP1MAPTPOLBPKMHTT
SCHEMBL8708137 0.89 TDP1 (0.49) TDP1MAPTPOLBPKMHTT
SCHEMBL5501814 0.87 TDP1 (0.47) TDP1MAPTPOLBPKMHTT
SCHEMBL5501826 0.87 TDP1 (0.47) TDP1MAPTPOLBPKMHTT
SCHEMBL5501809 0.87 TDP1 (0.47) TDP1MAPTPOLBPKMHTT
SCHEMBL5502563 0.85 TDP1 (0.45) TDP1MAPTPOLBPKMHTT
SCHEMBL5502573 0.85 TDP1 (0.45) TDP1MAPTPOLBPKMHTT
SCHEMBL5501774 0.83 TDP1 (0.43) TDP1MAPTPOLBPKMHTT
SCHEMBL5501759 0.83 TDP1 (0.43) TDP1MAPTPOLBPKMHTT

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