SCHEMBL7199501

SCHEMBL7199501

C=CCN(CCOC(CC(=O)O)C(=O)O)CCOC(CC(=O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 7/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
ATM Q13315 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
HPGD P15428 1/20 0.35
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL1360877 0.84 BLM (0.38) KDM4ESMN1; SMN2TDP1BLMPMP22
SCHEMBL2131480 0.80 BLM (0.47) KDM4ESMN1; SMN2L3MBTL1TDP1BLM
SCHEMBL15133338 0.75
SCHEMBL14385983 0.74 BLM (0.42) BLMPMP22HSD17B10
SCHEMBL6552512 0.74 BLM (0.42) KDM4ESMN1; SMN2TDP1BLMPMP22
SCHEMBL7193670 0.74 MVD (0.33) KMT2AMEN1SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL7708142 0.73 TDP1 (0.36) SMN1; SMN2TDP1
SCHEMBL20600359 0.72 BLM (0.47) KDM4ETDP1BLMPMP22HSD17B10
SCHEMBL1081018 0.71 EPOR (0.32) SMN1; SMN2TDP1
SCHEMBL1057046 0.71 EPOR (0.32) SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6590120-B1 Reacting alkali or earth alkali metal salt of maleic acid with N-substituted diethanolamine, in which two ethanol groups of diethanolamine react while substituent is unreactive with maleic acid salt KEMIRA CHEMICALS OY (FI) 2003-07-08 US claimed
US-6590120-B1 Reacting alkali or earth alkali metal salt of maleic acid with N-substituted diethanolamine, in which two ethanol groups of diethanolamine react while substituent is unreactive with maleic acid salt KEMIRA CHEMICALS OY (FI) 2003-07-08 US disclosed