Sugi Predict

Sugi Predict / Compounds / SCHEMBL2383871

SCHEMBL2383871

SCHEMBL2383871

O=C([O-])CN(CC(=O)[O-])Cc1cc(C#Cc2ccc(N=C=S)cc2)cc(CN(CC(=O)O)Cc2cc(C#Cc3ccc(N=C=S)cc3)cc(CN(CC(=O)[O-])CC(=O)[O-])n2)n1.O=C([O-])CN(CC(=O)[O-])Cc1cc(C#Cc2ccc(N=C=S)cc2)cc(CN(CC(=O)O)Cc2cc(C#Cc3ccc(N=C=S)cc3)cc(CN(CC(=O)[O-])CC(=O)[O-])n2)n1.O=C([O-])CN(CC(=O)[O-])Cc1cc(C#Cc2ccc(N=C=S)cc2)cc(CN(CC(=O)O)Cc2cc(C#Cc3ccc(N=C=S)cc3)cc(CN(CC(=O)[O-])CC(=O)[O-])n2)n1.[Eu+3].[Eu+3].[Eu+3].[Eu+3]

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.36
▸ FFAR1 O14842 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
SCHEMBL890271 0.94 HSD17B10 (0.34) HSD17B10
SCHEMBL706823 0.92 HSD17B10 (0.41) HSD17B10FFAR1
SCHEMBL12293196 0.88 HSD17B10 (0.36) HSD17B10FFAR1
SCHEMBL15630171 0.88 HSD17B10 (0.38) HSD17B10FFAR1
SCHEMBL15630169 0.88 HSD17B10 (0.38) HSD17B10FFAR1
SCHEMBL2384732 0.83 APP (0.36) FFAR1
SCHEMBL19013118 0.82 HSD17B10 (0.36) HSD17B10
SCHEMBL9356539 0.81 HSD17B10 (0.34) HSD17B10FFAR1
SCHEMBL15906283 0.79 HSD17B10 (0.32) HSD17B10
SCHEMBL14721509 0.79 FFAR1 (0.38) HSD17B10FFAR1

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
EP-2367001-B1 Biospecific binding reactants labeled with new luminescent lanthanide chelates and their use DHR FINLAND OY (FI) 2014-07-30 — — EP claimed
EP-1447666-B1 Biospecific binding reactants labeled with new luminescent lanthanide chelates and their use DHR FINLAND OY (FI) 2012-07-25 — — EP claimed
EP-2367001-A1 Biospecific binding reactants labeled with new luminescent lanthanide chelates and their use DHR Finland Oy (FI) 2011-09-21 — — EP claimed
US-20040166585-A1 Biospecific binding reactants labeled with new luminescent lanthanide chelates and their use INNOTRAC DIAGNOSTICS OY (FI) 2004-08-26 — — US claimed
EP-1447666-A2 Biospecific binding reactants labeled with new luminescent lanthanide chelates and their use Innotrac Diagnostics Oy (FI) 2004-08-18 — — EP claimed
EP-2367001-B1 Biospecific binding reactants labeled with new luminescent lanthanide chelates and their use DHR FINLAND OY (FI) 2014-07-30 — — EP disclosed
EP-2367001-A1 Biospecific binding reactants labeled with new luminescent lanthanide chelates and their use DHR Finland Oy (FI) 2011-09-21 — — EP disclosed