SCHEMBL8745307

SCHEMBL8745307

CC(C)OCC(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.58
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
RAD52 P43351 1/20 0.44
USP2 O75604 2/20 0.44
MAPT P10636 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX15 P16050 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL3966966 0.86 SMN1; SMN2 (0.73) SMN1; SMN2MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL4446649 0.86 SMN1; SMN2 (0.73) SMN1; SMN2MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL3970208 0.86 SMN1; SMN2 (0.73) SMN1; SMN2MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL8559427 0.83 ALDH1A1 (0.49) MEN1KMT2AALDH1A1L3MBTL1USP2
SCHEMBL9643851 0.80 MEN1 (0.50) MEN1KMT2AL3MBTL1USP2MAPT
SCHEMBL25493043 0.80 SMN1; SMN2 (0.65) SMN1; SMN2MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL12228111 0.80 SMN1; SMN2 (0.65) SMN1; SMN2MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL15296507 0.80 SMN1; SMN2 (0.65) SMN1; SMN2MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL25493039 0.80 SMN1; SMN2 (0.65) SMN1; SMN2MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL8559136 0.79 KDM4E (0.57) MEN1KMT2AALDH1A1L3MBTL1USP2

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-0596586-B1 Process for the production of metal complexes of N-beta-hydroxalkyl-tri-N-carboxyalkyl-1,4,7,10-tetraazacyclododecane and derivatives thereof SCHERING AG (DE) 1997-01-22 EP disclosed
US-5410043-A Chemical intermediate for metal complexes SCHERING AKTIENGESELLSCHAFT (DE) 1995-04-25 US disclosed
EP-0596586-A1 Process for the production of metal complexes of N-beta-hydroxalkyl-tri-N-carboxyalkyl-1,4,7,10-tetraazacyclododecane and derivatives thereof SCHERING AKTIENGESELLSCHAFT (DE) 1994-05-11 EP disclosed