SCHEMBL8206652

SCHEMBL8206652

NCCNCCNC(COCc1ccccc1)C(=O)NCCC1OCCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.40
BCHE P06276 1/20 0.39
TAOK1 Q7L7X3 1/20 0.39
TAOK3 Q9H2K8 1/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CHRNA1 P02708 3/20 0.38
CHRNG P07510 3/20 0.38
CHRNB1 P11230 3/20 0.38
CHRND Q07001 3/20 0.38
GRIA1 P42261 3/20 0.38
TLR2 O60603 2/20 0.37
KLK7 P49862 2/20 0.37
KLK5 Q9Y337 2/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36

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
SCHEMBL8417315 0.80 RAB9A (0.46) CTSSSMN1; SMN2
SCHEMBL2026078 0.80 FOLH1 (0.50) CTSSHTTSMN1; SMN2SLC1A1
SCHEMBL2026077 0.80 FOLH1 (0.50) CTSSHTTSMN1; SMN2SLC1A1
SCHEMBL6446635 0.79 FOLH1 (0.49) CTSSHTTSMN1; SMN2SLC1A1
SCHEMBL6446640 0.79 FOLH1 (0.49) CTSSHTTSMN1; SMN2SLC1A1
SCHEMBL8687177 0.78 SMN1; SMN2 (0.44) CTSSTAOK1TAOK3HTTSMN1; SMN2
SCHEMBL9115844 0.77 MMP9 (0.43) CTSSTAOK1TAOK3S1PR1SLC1A1
SCHEMBL6446637 0.77 FOLH1 (0.42) CTSSTAOK1TAOK3HTTSMN1; SMN2
SCHEMBL9450975 0.72 FOLH1 (0.54) CTSSHTTSMN1; SMN2SLC1A1
SCHEMBL5347315 0.72 FOLH1 (0.54) CTSSHTTSMN1; SMN2SLC1A1

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
EP-0760683-B1 BILE ACID CONJUGATES, DERIVATIVES THEREOF WITH METAL COMPLEXES AND RELATED USES BRACCO SPA (IT) 2000-01-05 EP disclosed
US-5649537-A CONJUGATION OF A BILE ACID WITH A CHELATING AGENT AND BI- OR TRIVALENT METALS; IMAGING OF THE HEPTATOBILIARY SYSTEM; NUCLEAR MAGNETIC RESONANCE DIBRA S.P.A. (IT) 1997-07-22 US disclosed
EP-0760683-A1 BILE ACID CONJUGATES, DERIVATIVES THEREOF WITH METAL COMPLEXES AND RELATED USES BRACCO S.p.A. (IT) 1997-03-12 EP disclosed
EP-0731797-A1 PARAMAGNETIC CHELATES FOR NUCLEAR MAGNETIC RESONANCE DIAGNOSIS BRACCO S.p.A. (IT) 1996-09-18 EP disclosed
WO-1995032741-A1 BILE ACID CONJUGATES, DERIVATIVES THEREOF WITH METAL COMPLEXES AND RELATED USES BRACCO S.P.A. (IT) 1995-12-07 WO disclosed
WO-1995015319-A1 PARAMAGNETIC CHELATES FOR NUCLEAR MAGNETIC RESONANCE DIAGNOSIS BRACCO S.P.A. (IT) 1995-06-08 WO disclosed