SCHEMBL8441808

SCHEMBL8441808

O=CN[C@@H]1C(=O)N2C(C(=O)O)=C(CCl)CS[C@H]12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 3/20 0.47
ESR1 P03372 1/20 0.47
PGR P06401 1/20 0.47
PTGS2 P35354 1/20 0.47
KDR P35968 1/20 0.47
SPOP O43791 1/20 0.47
TDP1 Q9NUW8 6/20 0.47
CA5A P35218 1/20 0.46
CACNA1B Q00975 2/20 0.46
APBA1 Q02410 2/20 0.46
MAPT P10636 7/20 0.45
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
DUSP3 P51452 1/20 0.45
PTPN5 P54829 1/20 0.45
PTPN11 Q06124 1/20 0.45
MAPK1 P28482 1/20 0.45
HPGD P15428 3/20 0.44
CTDSP1 Q9GZU7 2/20 0.44

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
SCHEMBL4348994 1.00 NR1I2 (0.47) NR1I2ESR1PGRPTGS2KDR
SCHEMBL8441810 1.00 NR1I2 (0.47) NR1I2ESR1PGRPTGS2KDR
SCHEMBL11697100 0.89 CA5A (0.57) NR1I2ESR1PGRPTGS2KDR
SCHEMBL11504463 0.89 CA5A (0.57) NR1I2ESR1PGRPTGS2KDR
SCHEMBL16202385 0.88 NR1I2 (0.47) NR1I2ESR1PGRPTGS2KDR
SCHEMBL11161263 0.88 NR1I2 (0.47) NR1I2ESR1PGRPTGS2KDR
SCHEMBL10897899 0.88 NR1I2 (0.47) NR1I2ESR1PGRPTGS2KDR
SCHEMBL11161264 0.88 NR1I2 (0.47) NR1I2ESR1PGRPTGS2KDR
SCHEMBL10897895 0.88 NR1I2 (0.47) NR1I2ESR1PGRPTGS2KDR
SCHEMBL10863671 0.88 CA5A (0.56) NR1I2ESR1PGRPTGS2KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5856320-A ANTIBIOTIC RESISTANT STAPYLOCOCCUS KATAYAMA SEIYAKUSYO CO., LTD. (JP) 1999-01-05 US disclosed
EP-0771803-A1 Pyrazolo(1,5-a)pyrimidinium substituted cephem derivatives, their preparation and their use as antimicrobial agents KATAYAMA SEIYAKUSYO CO. Ltd. (JP) 1997-05-07 EP disclosed
EP-0345671-B1 Cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1996-08-21 EP disclosed
US-5532354-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-07-02 US disclosed
US-5401734-A MICROBIOCIDES FUJISAWA PHAMACEUTICAL CO., LTD. (JP) 1995-03-28 US disclosed
US-5244890-A Treatment of infectious diseases FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-09-14 US disclosed
WO-1992021683-A1 NEW CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-12-10 WO disclosed
WO-1992018508-A1 NEW CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-10-29 WO disclosed
EP-0345671-A2 Cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-12-13 EP disclosed