SCHEMBL5230795

SCHEMBL5230795

COc1c(Cl)cc(C(=O)Cl)cc1C(=O)C(=O)Cl

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 3/20 0.47
TPMT P51580 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 2/20 0.44
GALK1 P51570 1/20 0.43
TAS1R3 Q7RTX0 3/20 0.41
TAS1R1 Q7RTX1 3/20 0.41
TAS1R2 Q8TE23 3/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
HSD17B10 Q99714 1/20 0.36
PLAU P00749 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35

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
SCHEMBL985523 0.85 ALDH1A1 (0.61) ALDH1A1KDM4ETPMTGAAHPGD
SCHEMBL27189692 0.79 ALDH1A1 (0.68) ALDH1A1KDM4ETPMTGAAHPGD
SCHEMBL30822595 0.79 ALDH1A1 (0.68) ALDH1A1KDM4ETPMTGAAHPGD
SCHEMBL4311603 0.77 TPMT (0.39) ALDH1A1KDM4ETPMTGAAHPGD
SCHEMBL10323753 0.77 ALDH1A1 (0.49) ALDH1A1KDM4ETPMTGAAHPGD
SCHEMBL10322834 0.77 ALDH1A1 (0.49) ALDH1A1KDM4ETPMTGAAHPGD
SCHEMBL3041051 0.74 TPMT (0.57) ALDH1A1KDM4ETPMTGAAHPGD
SCHEMBL10323754 0.73 ALDH1A1 (0.45) ALDH1A1KDM4ETPMTGAAHPGD
SCHEMBL10323382 0.73 ALDH1A1 (0.45) ALDH1A1KDM4ETPMTGAAHPGD
SCHEMBL10864147 0.73 KDM4E (0.48) ALDH1A1KDM4ETPMTGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1706452-A4 AROMATIC TRIAMIDE-LANTHANIDE COMPLEXES UNIV CALIFORNIA OFFICE OF THE (US) 2007-01-10 EP disclosed
EP-1706452-A2 AROMATIC TRIAMIDE-LANTHANIDE COMPLEXES The Regents of the University of California, Office of the President (US) 2006-10-04 EP disclosed
WO-2006001835-A2 AROMATIC TRIAMIDE-LANTHANIDE COMPLEXES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-01-05 WO disclosed