SCHEMBL7951806

SCHEMBL7951806

COCCOCOc1cc(C=O)cc(OCOCCOC)c1OCOCCOC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.41
ALDH1A1 P00352 9/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
TNFRSF1A P19438 1/20 0.38
MAPT P10636 4/20 0.37
HPGD P15428 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
EGFR P00533 3/20 0.37
MAPK1 P28482 2/20 0.37
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
ALOX12 P18054 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
IKBKB O14920 1/20 0.36
RARA P10276 1/20 0.36

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
SCHEMBL7962228 0.95 FDPS (0.45) FDPSALDH1A1L3MBTL1TNFRSF1AMAPT
SCHEMBL2709918 0.92 FDPS (0.47) FDPSALDH1A1L3MBTL1TNFRSF1AMAPT
SCHEMBL7951853 0.91 ALDH1A1 (0.50) FDPSALDH1A1L3MBTL1MAPTHPGD
SCHEMBL7960002 0.90 ALDH1A1 (0.50) FDPSALDH1A1L3MBTL1MAPTHPGD
SCHEMBL7962354 0.90 FDPS (0.37) FDPSALDH1A1L3MBTL1TNFRSF1AMAPT
SCHEMBL7959829 0.90 ALDH1A1 (0.40) FDPSALDH1A1L3MBTL1TNFRSF1AMAPT
SCHEMBL7437188 0.89 TNFRSF1A (0.47) FDPSALDH1A1L3MBTL1TNFRSF1AMAPT
SCHEMBL7951509 0.86 FDPS (0.38) FDPSALDH1A1L3MBTL1MAPTHPGD
SCHEMBL16360706 0.85 FDPS (0.50) FDPSALDH1A1L3MBTL1TNFRSF1AMAPT
SCHEMBL7964684 0.85 ALDH1A1 (0.43) ALDH1A1MAPTHPGDCYP1A2CYP2D6

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 7 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-5763617-A Cephalosporins ROUSSEL UCLAF (FR) 1998-06-09 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