SCHEMBL6061644

SCHEMBL6061644

O=C(O)c1ccc2ccc(C(=O)CC(=O)c3ccccc3)cc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
HPGD P15428 3/20 0.61
KDM4E B2RXH2 3/20 0.61
CYP3A4 P08684 2/20 0.61
MAPT P10636 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
CES1 P23141 2/20 0.61
ALOX15 P16050 1/20 0.61
MAPK1 P28482 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
PTPN1 P18031 2/20 0.51
ALDH1A1 P00352 2/20 0.50
PLOD2 O00469 2/20 0.50
AKR1C3 P42330 1/20 0.50
PLOD3 O60568 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50

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
SCHEMBL29483367 0.89 KDM4E (0.65) MEN1KMT2AHPGDKDM4ECYP3A4
SCHEMBL1003111 0.89 KDM4E (0.65) MEN1KMT2AHPGDKDM4ECYP3A4
SCHEMBL2038455 0.87 MEN1 (0.63) MEN1KMT2AHPGDKDM4ECYP3A4
SCHEMBL9464212 0.85 MEN1 (0.71) MEN1KMT2AHPGDKDM4ECYP3A4
SCHEMBL28972869 0.83 PTPN1 (0.57) MEN1KMT2AHPGDKDM4ECYP3A4
SCHEMBL1082898 0.83 PTPN1 (0.57) MEN1KMT2AHPGDKDM4ECYP3A4
SCHEMBL28972866 0.83 PTPN1 (0.57) MEN1KMT2AHPGDKDM4ECYP3A4
SCHEMBL29489791 0.83 PTPN1 (0.71) MEN1KMT2AHPGDKDM4ECYP3A4
SCHEMBL1974978 0.83 PTPN1 (0.71) MEN1KMT2AHPGDKDM4ECYP3A4
SCHEMBL8780714 0.82 MEN1 (0.81) MEN1KMT2AHPGDKDM4ECYP3A4

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-1556323-A4 METAL CHELATES AND METHODS OF USING THEM FOR TIME-RESOLVED FLUORESCENCE IDEXX LAB INC (US) 2006-06-21 EP disclosed
EP-1556323-A2 METAL CHELATES AND METHODS OF USING THEM FOR TIME-RESOLVED FLUORESCENCE IDEXX LABORATORIES, INC. (US) 2005-07-27 EP disclosed
WO-2004040534-A2 METAL CHELATES AND METHODS OF USING THEM FOR TIME-RESOLVED FLUORESCENCE IDEXX LABORATORIES, INC. (US) 2004-05-13 WO disclosed