SCHEMBL7795437

SCHEMBL7795437

O=C([O-])C(=O)CC(=O)c1ccccc1.O=C([O-])C(=O)CC(=O)c1ccccc1.O=C([O-])C(=O)CC(=O)c1ccccc1.[Dy+3]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 7/20 0.69
FEN1 P39748 7/20 0.69
PTPN1 P18031 2/20 0.69
KMT2A Q03164 3/20 0.67
MEN1 O00255 2/20 0.67
CYP3A4 P08684 2/20 0.67
HPGD P15428 2/20 0.67
MAPK1 P28482 2/20 0.67
MAPT P10636 2/20 0.67
TDP1 Q9NUW8 2/20 0.67
KDM4E B2RXH2 1/20 0.67
ALOX15 P16050 1/20 0.67
CES1 P23141 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
HAO1 Q9UJM8 1/20 0.55
ALDH1A1 P00352 2/20 0.53
HIF1A Q16665 2/20 0.53
PLOD2 O00469 2/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53

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
SCHEMBL28499748 0.96 ERCC5 (0.69) ERCC5FEN1PTPN1KMT2AMEN1
SCHEMBL28387528 0.96 ERCC5 (0.69) ERCC5FEN1PTPN1KMT2AMEN1
SCHEMBL30699949 0.96 ERCC5 (0.69) ERCC5FEN1PTPN1KMT2AMEN1
SCHEMBL15252116 0.96 ERCC5 (0.69) ERCC5FEN1PTPN1KMT2AMEN1
SCHEMBL27647880 0.96 ERCC5 (0.76) ERCC5FEN1PTPN1KMT2AMEN1
SCHEMBL28413743 0.96 ERCC5 (0.69) ERCC5FEN1PTPN1KMT2AMEN1
SCHEMBL8967230 0.96 ERCC5 (0.69) ERCC5FEN1PTPN1KMT2AMEN1
SCHEMBL28494119 0.96 ERCC5 (0.69) ERCC5FEN1PTPN1KMT2AMEN1
SCHEMBL8659924 0.94 ERCC5 (0.67) ERCC5FEN1PTPN1KMT2AMEN1
SCHEMBL9648913 0.86 ERCC5 (0.82) ERCC5FEN1PTPN1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850281-B1 A JET INK COMPOSITION MARCONI DATA SYSTEMS INC (US) 2001-12-05 EP claimed