SCHEMBL7962974

SCHEMBL7962974

COCCOCOc1cc(OC(=O)CO)cc(C#N)c1OCOCCOC

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.36
STING1 Q86WV6 1/20 0.35
F2 P00734 1/20 0.34
ELANE P08246 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TP53 P04637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
XDH P47989 1/20 0.33
CTNNB1 P35222 1/20 0.32
AR P10275 1/20 0.31
RARA P10276 1/20 0.30
RARB P10826 1/20 0.30
RARG P13631 1/20 0.30

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
SCHEMBL8119631 0.88 STING1 (0.44) HPGDSTING1F2ELANENPC1
SCHEMBL7961487 0.83 RARG (0.38) STING1F2ELANECTNNB1RARA
SCHEMBL7962513 0.83 HPGD (0.49) HPGDF2ELANENPC1RAB9A
SCHEMBL8119132 0.82 STING1 (0.35) STING1F2ELANECTNNB1RARA
SCHEMBL7962968 0.82 HPGD (0.36) HPGDSTING1F2ELANENPC1
SCHEMBL8382372 0.79 F2 (0.37) HPGDSTING1F2ELANENPC1
SCHEMBL8134797 0.78 HPGD (0.36) HPGDF2ELANEXDHAR
SCHEMBL8126526 0.77 HPGD (0.38) HPGDF2ELANEXDHAR
SCHEMBL8132902 0.77 AR (0.34) HPGDSTING1F2ELANENPC1
SCHEMBL7962583 0.77 HPGD (0.44) HPGDF2ELANEXDHRARA

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