SCHEMBL7647489

SCHEMBL7647489

N#CCOC(=O)c1ccc(CNC(=O)[C@@H](N)CCC(N)=O)cc1O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 2/20 0.37
ERCC4 Q92889 2/20 0.37
EGFR P00533 1/20 0.35
SRC P12931 1/20 0.35
SPHK1 Q9NYA1 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
SERPINE1 P05121 1/20 0.32
LCK P06239 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
SCHEMBL7647486 0.92 ERCC1 (0.38) ERCC1ERCC4EGFRSRCSPHK1
SCHEMBL7647483 0.92 ERCC1 (0.38) ERCC1ERCC4EGFRSRCSPHK1
SCHEMBL8553778 0.85 EGFR (0.46) ERCC1ERCC4EGFRSRCSPHK1
SCHEMBL7632497 0.81 ERCC1 (0.44) ERCC1ERCC4EGFRSPHK1TDP1
SCHEMBL8553772 0.76 ERCC1 (0.44) ERCC1ERCC4EGFRSRCSPHK1
SCHEMBL8553769 0.76 ERCC1 (0.44) ERCC1ERCC4EGFRSRCSPHK1
SCHEMBL6289986 0.73 SERPINE1 (0.44) TDP1GAASERPINE1
SCHEMBL7632490 0.73 ERCC1 (0.45) ERCC1ERCC4EGFRSPHK1TDP1
SCHEMBL7632486 0.73 ERCC1 (0.45) ERCC1ERCC4EGFRSPHK1TDP1
SCHEMBL6292886 0.73 EGFR (0.38) ERCC1ERCC4EGFRSRCTDP1

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