SCHEMBL5694497

SCHEMBL5694497

CCCCC(C(=O)OCC)S(N)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.42
TP53 P04637 1/20 0.40
CA2 P00918 10/20 0.39
CA1 P00915 7/20 0.39
CPB2 Q96IY4 1/20 0.37
CA9 Q16790 3/20 0.36
CA12 O43570 1/20 0.36
ALOX15 P16050 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPK1 P28482 1/20 0.34
STS P08842 1/20 0.34

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
SCHEMBL9567302 0.83 RECQL (0.43) RECQLTP53CA2CA1CPB2
SCHEMBL8781747 0.79 CA2 (0.47) TP53CA2CA1TDP1MAPK1
SCHEMBL9567278 0.76 ZDHHC7 (0.43) TP53CA2CPB2MMP9MMP13
SCHEMBL28398863 0.76 RECQL (0.48) RECQLTP53CA2CPB2MMP9
SCHEMBL9621468 0.76 RECQL (0.48) RECQLTP53CA2CPB2MMP9
SCHEMBL27395385 0.76 RECQL (0.48) RECQLTP53CA2CPB2MMP9
SCHEMBL9618775 0.76 RECQL (0.48) RECQLTP53CA2CPB2MMP9
SCHEMBL29506776 0.75 RECQL (0.47) RECQLTP53CA2CPB2MMP9
SCHEMBL1483872 0.75 RECQL (0.47) RECQLTP53CA2CPB2MMP9
SCHEMBL1173438 0.75 RECQL (0.47) RECQLTP53CA2CPB2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667724-A2 ALBUMIN-BINDING DERIVATIVES OF THERAPEUTIC PEPTIDES NOVO NORDISK A/S (DK) 2006-06-14 EP disclosed
WO-2005028516-A2 ALBUMIN-BINDING DERIVATIVES OF THERAPEUTIC PEPTIDES NOVO NORDISK A/S (DK) 2005-03-31 WO disclosed