SCHEMBL7653381

SCHEMBL7653381

O=C([O-])CN(CC(=O)[O-])c1ccccc1C(=O)O.O=C([O-])CN(CC(=O)[O-])c1ccccc1C(=O)O.O=C([O-])CN(CC(=O)[O-])c1ccccc1C(=O)O.[Fe+3].[Fe+3]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
ALOX15 P16050 1/20 0.45
PTPN1 P18031 5/20 0.41
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
HMGB1 P09429 1/20 0.39
HPGD P15428 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
CA14 Q9ULX7 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 2/20 0.38
HDAC8 Q9BY41 1/20 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
SCHEMBL5685712 0.87 ALDH1A1 (0.42) ALDH1A1ALOX15TDP1SMN1; SMN2KDM4E
SCHEMBL129880 0.83 TDP1 (0.56) ALDH1A1ALOX15PTPN1TDP1SMN1; SMN2
SCHEMBL30580347 0.83 TDP1 (0.56) ALDH1A1ALOX15PTPN1TDP1SMN1; SMN2
SCHEMBL5685714 0.81 TDP1 (0.54) ALDH1A1ALOX15PTPN1TDP1SMN1; SMN2
SCHEMBL11311149 0.77 TDP1 (0.39) ALDH1A1TDP1KDM4ECA2CA4
SCHEMBL1668024 0.76 TP53 (0.53) ALDH1A1ALOX15PTPN1TDP1SMN1; SMN2
SCHEMBL7476350 0.74 ALDH1A1 (0.48) ALDH1A1ALOX15PTPN1SMN1; SMN2KDM4E
Ammonia Solution, Strong SCHEMBL27451904 0.74 TP53 (0.51) ALDH1A1ALOX15PTPN1TDP1SMN1; SMN2
SCHEMBL6118873 0.74 PTPN1 (0.50) ALDH1A1ALOX15PTPN1SMN1; SMN2KDM4E
SCHEMBL9280704 0.74 PTPN1 (0.50) ALDH1A1ALOX15PTPN1SMN1; SMN2KDM4E

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
US-6451517-B1 Silver halide color photographic lightsensitive material and method for forming color image using the same FUJI PHOTO FILM CO., LTD. (JP) 2002-09-17 US disclosed