SCHEMBL7647486

SCHEMBL7647486

N#CCOC(=O)c1ccc(CNC(=O)C(N)CCC(=O)O)cc1O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 2/20 0.38
ERCC4 Q92889 2/20 0.38
TDP1 Q9NUW8 1/20 0.36
LTA4H P09960 3/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
SPHK1 Q9NYA1 1/20 0.34
HTT P42858 1/20 0.33
EGFR P00533 1/20 0.33
SRC P12931 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL7647483 1.00 ERCC1 (0.38) ERCC1ERCC4TDP1LTA4HFNTA
SCHEMBL7647489 0.92 ERCC1 (0.37) ERCC1ERCC4TDP1FNTAFNTB
SCHEMBL8553772 0.85 ERCC1 (0.44) ERCC1ERCC4LTA4HKDM4ECYP3A4
SCHEMBL8553769 0.85 ERCC1 (0.44) ERCC1ERCC4LTA4HKDM4ECYP3A4
SCHEMBL7632486 0.82 ERCC1 (0.45) ERCC1ERCC4TDP1LTA4HFNTA
SCHEMBL7632490 0.82 ERCC1 (0.45) ERCC1ERCC4TDP1LTA4HFNTA
SCHEMBL8553778 0.76 EGFR (0.46) ERCC1ERCC4KDM4ECYP3A4GAA
SCHEMBL7632497 0.74 ERCC1 (0.44) ERCC1ERCC4TDP1FNTAFNTB
SCHEMBL6289986 0.73 SERPINE1 (0.44) TDP1GAA
SCHEMBL6292886 0.73 EGFR (0.38) ERCC1ERCC4TDP1EGFRSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920413-B1 BORONIC COMPOUND COMPLEXING REAGENTS AND COMPLEXES PROLINX INC (US) 2002-11-13 EP disclosed
EP-0920413-A1 BORONIC COMPOUND COMPLEXING REAGENTS AND COMPLEXES PROLINX, INC. (US) 1999-06-09 EP disclosed
EP-0915832-A1 BORONIC COMPOUND COMPLEXING REAGENTS AND HIGHLY STABLE COMPLEXES PROLINX, INC. (US) 1999-05-19 EP disclosed
US-5877297-A Boronic compound complexing reagents and highly stable complexes PROLINX, INC. (US) 1999-03-02 US disclosed
US-5872224-A Boronic compound complexing reagents and highly stable complexes PROLINX, INC. (US) 1999-02-16 US disclosed
US-5869623-A Boronic compound complexing reagents and complexes SYSTEMIX (US) 1999-02-09 US disclosed
US-5859210-A Boronic compound complexing reagents and complexes PROLINX, INC. (US) 1999-01-12 US disclosed
US-5847192-A Boronic compound complexing reagents and complexes PROLINX, INC. (US) 1998-12-08 US disclosed
US-5837878-A Boronic compound complexing reagents and highly stable complexes PROLINX, INC. (US) 1998-11-17 US disclosed
US-5777148-A Boronic compound complexing reagents and highly stable complexes PROLINX, INC. (US) 1998-07-07 US disclosed
US-5744627-A Boronic compound complexing reagents and complexes PROLINX, INC. (US) 1998-04-28 US disclosed
WO-1998005627-A1 BORONIC COMPOUND COMPLEXING REAGENTS AND HIGHLY STABLE COMPLEXES PROLINX, INC. (US) 1998-02-12 WO disclosed
WO-1998005629-A1 BORONIC COMPOUND COMPLEXING REAGENTS AND COMPLEXES PROLINX, INC. (US) 1998-02-12 WO disclosed