SCHEMBL7959829

SCHEMBL7959829

COCCOCOc1cc(C=O)cc(F)c1OCOCCOC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.40
FDPS P14324 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
TUBB1 Q9H4B7 1/20 0.34
HPGD P15428 4/20 0.34
MAPT P10636 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
EGFR P00533 1/20 0.34
MAPK1 P28482 2/20 0.33
MEN1 O00255 2/20 0.33
POLB P06746 2/20 0.33
KMT2A Q03164 2/20 0.33
RARG P13631 1/20 0.33
ALOX12 P18054 1/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
IKBKB O14920 1/20 0.33

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
SCHEMBL7951806 0.90 FDPS (0.41) ALDH1A1FDPSL3MBTL1HPGDMAPT
SCHEMBL7962228 0.86 FDPS (0.45) ALDH1A1FDPSL3MBTL1TUBB1HPGD
SCHEMBL7951853 0.84 ALDH1A1 (0.50) ALDH1A1FDPSL3MBTL1HPGDMAPT
SCHEMBL7962354 0.83 FDPS (0.37) ALDH1A1FDPSL3MBTL1HPGDMAPT
SCHEMBL7960002 0.83 ALDH1A1 (0.50) ALDH1A1FDPSL3MBTL1HPGDMAPT
SCHEMBL7437188 0.83 TNFRSF1A (0.47) ALDH1A1FDPSL3MBTL1TUBB1HPGD
SCHEMBL2709918 0.82 FDPS (0.47) ALDH1A1FDPSL3MBTL1TUBB1HPGD
SCHEMBL16680535 0.81 FDPS (0.50) ALDH1A1FDPSL3MBTL1TUBB1HPGD
SCHEMBL8129787 0.81 RARG (0.35) RARGIKBKBRARA
SCHEMBL7961925 0.81 ALDH1A1 (0.33) ALDH1A1RARGTDP1IKBKBRARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6313305-B1 ANTIBIOTICS, BACTERICIDES HOECHST MARION ROUSSEL (FR) 2001-11-06 US disclosed
EP-0551034-B1 Antibiotic cephalosporins having in position 7 a substituted benzyloxyimino radical HOECHST MARION ROUSSEL INC (FR) 2000-09-20 EP disclosed
EP-1016646-A1 Intermediates for the preparation of cephalosporines containing on the 7-position a substituted benzyloximino radical HOECHST MARION ROUSSEL (FR) 2000-07-05 EP disclosed
US-5883248-A QUATERNARY AMMONIUM INTERMEDIATES ROUSSEL UCLAF (FR) 1999-03-16 US disclosed
US-5763617-A Cephalosporins ROUSSEL UCLAF (FR) 1998-06-09 US disclosed
US-5728828-A A 3-(3-CHLORO- OR IODOPROP-1-EN-1-YL),7-(2-AMINOTHIAZOL-4-YL) ((CARBOXY)(PHENYL)METHOXYIMINO)ACETAMIDO-3-CEPHEM; GRAMNEGATIVE AND -POSITIVE BACTERIA, ESP. ANTIBIOTIC-RESISTANCE STAPHYLOCOCCUS ROUSSEL UCLAF (FR) 1998-03-17 US disclosed
US-5712266-A Cephalosporins ROUSSEL UCLAF (FR) 1998-01-27 US disclosed
US-5587372-A BACERICIDES ROUSSEL UCLAF (FR) 1996-12-24 US disclosed
US-5455238-A Bactericides ROUSSEL UCLAF (FR) 1995-10-03 US disclosed
EP-0551034-A2 Cephalosporins having in position 7 a benzyloxyimino radical substitute, process for their preparation and their use as medicaments ROUSSEL UCLAF (FR) 1993-07-14 EP disclosed