SCHEMBL7964684

SCHEMBL7964684

COCCOCOc1cc(C=O)cc([N+](=O)[O-])c1OCOCCOC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.43
MAPT P10636 7/20 0.43
HPGD P15428 3/20 0.43
LMNA P02545 6/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
XDH P47989 1/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37
TUBB6 Q9BUF5 1/20 0.37

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 0.85 FDPS (0.41) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL7962228 0.81 FDPS (0.45) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL7951853 0.80 ALDH1A1 (0.50) ALDH1A1MAPTHPGDLMNAHTT
SCHEMBL7959829 0.79 ALDH1A1 (0.40) ALDH1A1MAPTHPGDLMNATUBB1
SCHEMBL7960002 0.79 ALDH1A1 (0.50) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL7962354 0.79 FDPS (0.37) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL7437188 0.79 TNFRSF1A (0.47) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL2709918 0.78 FDPS (0.47) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL9362048 0.78 LMNA (0.44) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL1515864 0.78 MAPT (0.47) ALDH1A1MAPTHPGDLMNASMN1; SMN2

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 6 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-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