SCHEMBL5507779

SCHEMBL5507779

O=C(Cc1cccs1)N[C@@H]1C(=O)N2C(C(=O)O)=C(C=C3CCN(CC4CC4)C3=O)CS[C@H]12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPEPLD Q6IQ20 1/20 0.56
TDP1 Q9NUW8 7/20 0.54
MAPT P10636 5/20 0.54
HPGD P15428 3/20 0.54
NR1I2 O75469 2/20 0.54
SLC22A6 Q4U2R8 2/20 0.54
SLC22A8 Q8TCC7 2/20 0.54
SLC22A11 Q9NSA0 2/20 0.54
DNMT1 P26358 1/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
LMNA P02545 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.49
ALOX15 P16050 1/20 0.49
RECQL P46063 1/20 0.49
PTGS1 P23219 1/20 0.49
POLB P06746 2/20 0.49
PKM P14618 2/20 0.49

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
SCHEMBL5507770 1.00 NAPEPLD (0.56) NAPEPLDTDP1MAPTHPGDNR1I2
SCHEMBL5503292 0.88 TDP1 (0.45) NAPEPLDTDP1MAPTHPGDNR1I2
SCHEMBL5503281 0.88 TDP1 (0.45) NAPEPLDTDP1MAPTHPGDNR1I2
SCHEMBL5502008 0.85 TDP1 (0.48) NAPEPLDTDP1MAPTHPGDNR1I2
SCHEMBL5501997 0.85 TDP1 (0.48) NAPEPLDTDP1MAPTHPGDNR1I2
SCHEMBL5502024 0.85 CA5A (0.50) NAPEPLDTDP1MAPTNR1I2CTDSP1
SCHEMBL5502011 0.85 CA5A (0.50) NAPEPLDTDP1MAPTNR1I2CTDSP1
SCHEMBL5502629 0.83 TDP1 (0.47) NAPEPLDTDP1MAPTHPGDNR1I2
SCHEMBL5502621 0.83 TDP1 (0.47) NAPEPLDTDP1MAPTHPGDNR1I2
SCHEMBL5510598 0.83 CA5A (0.60) NAPEPLDTDP1MAPTNR1I2LMNA

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