SCHEMBL8553769

SCHEMBL8553769

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 2/20 0.44
ERCC4 Q92889 2/20 0.44
EGFR P00533 1/20 0.44
SRC P12931 1/20 0.44
GAA P10253 2/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK4 Q16654 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
SPHK1 Q9NYA1 1/20 0.40
TRPV1 Q8NER1 3/20 0.39

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
SCHEMBL8553772 1.00 ERCC1 (0.44) ERCC1ERCC4EGFRSRCGAA
SCHEMBL8553778 0.91 EGFR (0.46) ERCC1ERCC4EGFRSRCGAA
SCHEMBL7632490 0.88 ERCC1 (0.45) ERCC1ERCC4EGFRGAAKDM4E
SCHEMBL7632486 0.88 ERCC1 (0.45) ERCC1ERCC4EGFRGAAKDM4E
SCHEMBL7647483 0.85 ERCC1 (0.38) ERCC1ERCC4EGFRSRCGAA
SCHEMBL7647486 0.85 ERCC1 (0.38) ERCC1ERCC4EGFRSRCGAA
SCHEMBL7632497 0.80 ERCC1 (0.44) ERCC1ERCC4EGFRGAAKDM4E
SCHEMBL6289048 0.78 TRPV1 (0.57) ERCC1ERCC4EGFRSRCGAA
SCHEMBL7647489 0.76 ERCC1 (0.37) ERCC1ERCC4EGFRSRCGAA
SCHEMBL14401631 0.76 SMN1; SMN2 (0.56) ERCC1ERCC4EGFRSRCGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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