SCHEMBL691784

SCHEMBL691784

COc1ccc(COC(=O)c2cccc(OCc3ccc(OC)cc3)c2OCc2ccc(OC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.51
MMP1 P03956 1/20 0.51
MMP2 P08253 1/20 0.50
MMP12 P39900 1/20 0.50
HTR1A P08908 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
GAA P10253 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SCN9A Q15858 2/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
ALDH1A1 P00352 1/20 0.45
ABCB1 P08183 2/20 0.45
SMPD1 P17405 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL14699992 0.88 POLB (0.47) MMP9MMP1MMP2MMP12GAA
SCHEMBL8983017 0.86 HTR1A (0.48) HTR1AADRA1DADRA1AADRA1BGAA
SCHEMBL691628 0.86 RAB9A (0.55) HTR1AADRA1DADRA1AADRA1BNPC1
SCHEMBL21022925 0.85 ALDH1A1 (0.59) NPC1RAB9APOLBSMN1; SMN2ALDH1A1
SCHEMBL29838082 0.84 HTR1A (0.49) HTR1AADRA1DADRA1AADRA1BNPC1
SCHEMBL9359762 0.82 POLB (0.45) MMP9MMP1MMP2MMP12GAA
SCHEMBL9356233 0.81 MAOB (0.48) GAANPC1RAB9APOLBSMN1; SMN2
SCHEMBL30849274 0.78 PARP1 (0.71) NPC1RAB9ASMN1; SMN2ALDH1A1ABCB1
SCHEMBL1305662 0.78 HPGD (0.57) GAANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1097626 0.78 PPIA (0.48) NPC1RAB9APOLBSMN1; SMN2ALDH1A1

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-9125950-B2 Siderophore conjugate immunogenic compositions and vaccines UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-09-08 US disclosed
US-20150071961-A1 SIDEROPHORE CONJUGATE IMMUNOGENIC COMPOSITIONS AND VACCINES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-03-12 US disclosed
US-8834890-B2 Siderophore conjugate immunogenic compositions and vaccines UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-09-16 US disclosed
EP-2557082-A1 CEPHEM COMPOUND HAVING CATECHOL GROUP Shionogi & Co., Ltd. (JP) 2013-02-13 EP disclosed
US-20120052087-A1 Siderophore Conjugate Immunogenic Compositions and Vaccines UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-03-01 US disclosed
EP-2421529-A2 SIDEROPHORE CONJUGATE IMMUNOGENIC COMPOSITIONS AND VACCINES University of Florida Research Foundation, Inc. (US) 2012-02-29 EP disclosed
WO-2010123845-A2 SIDEROPHORE CONJUGATE IMMUNOGENIC COMPOSITIONS AND VACCINES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-10-28 WO disclosed