SCHEMBL7961487

SCHEMBL7961487

COCCOCOc1cc(OC(=O)CO)cc(Cl)c1OCOCCOC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 4/20 0.38
STING1 Q86WV6 1/20 0.35
F2 P00734 1/20 0.34
ELANE P08246 1/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
CTNNB1 P35222 1/20 0.34
IKBKB O14920 2/20 0.34
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
KDM4E B2RXH2 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
RARA P10276 2/20 0.32
RARB P10826 1/20 0.32
ALDH1A1 P00352 2/20 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
SCHEMBL8127189 0.87 STING1 (0.44) RARGSTING1F2ELANELMNA
SCHEMBL8119132 0.86 STING1 (0.35) RARGSTING1F2ELANECTNNB1
SCHEMBL7962974 0.83 HPGD (0.36) RARGSTING1F2ELANECTNNB1
SCHEMBL7962063 0.81 F2 (0.46) RARGF2ELANELMNAKDM4E
SCHEMBL7961481 0.80 RARG (0.38) RARGSTING1F2ELANELMNA
SCHEMBL7962553 0.79 RARG (0.36) RARGF2ELANECTNNB1IKBKB
SCHEMBL8134003 0.76 RARG (0.38) RARGF2ELANELMNAHTT
SCHEMBL8134794 0.75 RARG (0.35) RARGSTING1F2ELANEIKBKB
SCHEMBL7962591 0.75 PTPN1 (0.44) RARGSTING1F2ELANELMNA
SCHEMBL8132737 0.75 RARG (0.38) RARGF2ELANELMNAHTT

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