SCHEMBL6162250

SCHEMBL6162250

COC(=O)CNC(CCCCNC(=O)OCc1ccccc1)C(=O)OC

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
FOLH1 Q04609 4/20 0.57
SIRT2 Q8IXJ6 1/20 0.56
SIRT1 Q96EB6 1/20 0.56
SIRT3 Q9NTG7 1/20 0.56
MMP2 P08253 2/20 0.54
MMP9 P14780 2/20 0.54
HTT P42858 1/20 0.53
TGM2 P21980 1/20 0.51
CPB1 P15086 1/20 0.51
CPB2 Q96IY4 1/20 0.51

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
SCHEMBL22355258 0.86 MAPT (0.54) CA1CA2FOLH1SIRT2SIRT1
SCHEMBL18348898 0.86 SIRT2 (0.72) CA1CA2FOLH1SIRT2SIRT1
SCHEMBL25932584 0.86 CA1 (0.63) CA1CA2FOLH1SIRT2SIRT1
SCHEMBL29549390 0.86 CA1 (0.63) CA1CA2FOLH1SIRT2SIRT1
SCHEMBL25455579 0.85 CA1 (0.58) CA1CA2FOLH1SIRT2SIRT1
SCHEMBL14729274 0.85 ABCB1 (0.61) FOLH1MMP2MMP9HTT
SCHEMBL31114614 0.85 ABCB1 (0.61) FOLH1MMP2MMP9HTT
SCHEMBL14720053 0.84 FOLH1 (0.61) FOLH1SIRT2SIRT1MMP2MMP9
SCHEMBL21657923 0.84 SIRT2 (0.48) CA1CA2FOLH1SIRT2SIRT1
SCHEMBL25453638 0.84 CA1 (0.61) CA1CA2FOLH1SIRT2SIRT1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0770610-B1 Biospecific binding reactants labelled with luminescent lanthanide chelates and their use WALLAC OY (FI) 2005-07-06 EP disclosed
US-5859215-A IMMUNOASSAY; DNA HYBRID ANALYSIS; COMPLEXING; MEDICAL DIAGNOSIS WALLAC OY (FI) 1999-01-12 US disclosed
EP-0770610-A1 Biospecific binding reactants labelled with luminescent lanthanide chelates and their use WALLAC OY (FI) 1997-05-02 EP disclosed