SCHEMBL7632497

SCHEMBL7632497

NC(=O)CC[C@H](N)C(=O)NCc1ccc(C(=O)O)c(O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 3/20 0.44
ERCC4 Q92889 3/20 0.44
EGFR P00533 1/20 0.43
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GRM1 Q13255 2/20 0.40
GRM2 Q14416 2/20 0.40
MEN1 O00255 1/20 0.40
CYP2C9 P11712 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SPHK1 Q9NYA1 1/20 0.39
PPARA Q07869 1/20 0.39
PIM1 P11309 2/20 0.39
MAPT P10636 2/20 0.38
CYP3A4 P08684 2/20 0.38

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
SCHEMBL7632486 0.91 ERCC1 (0.45) ERCC1ERCC4EGFRFNTAFNTB
SCHEMBL7632490 0.91 ERCC1 (0.45) ERCC1ERCC4EGFRFNTAFNTB
SCHEMBL8553778 0.87 EGFR (0.46) ERCC1ERCC4EGFRKDM4EALDH1A1
SCHEMBL7647489 0.81 ERCC1 (0.37) ERCC1ERCC4EGFRFNTAFNTB
SCHEMBL8553772 0.80 ERCC1 (0.44) ERCC1ERCC4EGFRKDM4ESPHK1
SCHEMBL8553769 0.80 ERCC1 (0.44) ERCC1ERCC4EGFRKDM4ESPHK1
SCHEMBL16103221 0.78 SLC1A1 (0.51) EGFRMEN1CYP2C9KMT2ASPHK1
SCHEMBL10098521 0.78 SLC1A1 (0.51) EGFRMEN1CYP2C9KMT2ASPHK1
SCHEMBL7647486 0.74 ERCC1 (0.38) ERCC1ERCC4EGFRFNTAFNTB
SCHEMBL7647483 0.74 ERCC1 (0.38) ERCC1ERCC4EGFRFNTAFNTB

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