SCHEMBL7952010

SCHEMBL7952010

COCCOCOc1ccc(C=O)c(F)c1OCOCCOC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
RARG P13631 2/20 0.33
RARA P10276 2/20 0.33
IKBKB O14920 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
F2 P00734 1/20 0.32
ELANE P08246 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RARB P10826 1/20 0.32
ERN1 O75460 1/20 0.32
TUBB1 Q9H4B7 1/20 0.32
EGFR P00533 4/20 0.31
FDPS P14324 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL7961925 0.83 ALDH1A1 (0.33) ALDH1A1RARGRARAIKBKBF2
SCHEMBL7961321 0.83 ALDH1A1 (0.36) ALDH1A1RARGRARAIKBKBHPGD
SCHEMBL13520078 0.81 GAA (0.37) ALDH1A1SMN1; SMN2MAPTL3MBTL1ERN1
SCHEMBL31037190 0.76 ALDH1A1 (0.46) ALDH1A1RARGRARAHPGDHTT
SCHEMBL9364651 0.75 RARA (0.37) ALDH1A1RARGRARAIKBKBHPGD
SCHEMBL7959829 0.75 ALDH1A1 (0.40) ALDH1A1RARGRARAIKBKBHPGD
SCHEMBL3235018 0.75 ALDH1A1 (0.62) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL4998794 0.74 ALDH1A1 (0.49) ALDH1A1HPGDHTTSMN1; SMN2F2
SCHEMBL17719425 0.74 EGFR (0.37) ALDH1A1HPGDHTTSMN1; SMN2F2
SCHEMBL5042606 0.74 LMNA (0.45) ALDH1A1HPGDHTTSMN1; SMN2MAPT

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