SCHEMBL6423403

SCHEMBL6423403

CC(C(=O)O)N1CCN2CCN(CCN(C(C)C(=O)O)CC1)C2=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
SLC6A9 P48067 2/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
HDAC4 P56524 1/20 0.33
POLB P06746 1/20 0.33
ACE P12821 1/20 0.33
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL6423002 0.88 TSHR (0.40) GAASLC6A9KMT2AMEN1KDM4E
SCHEMBL2909450 0.88 SIGMAR1 (0.36) GAASLC6A9KMT2AMEN1KDM4E
SCHEMBL1133814 0.84
SCHEMBL13223389 0.84 SLC6A9 (0.40) SLC6A9KMT2AMEN1KDM4EALDH1A1
SCHEMBL1165366 0.84 SLC6A9 (0.40) SLC6A9KMT2AMEN1KDM4EALDH1A1
SCHEMBL24220960 0.84 SLC6A9 (0.40) SLC6A9KMT2AMEN1KDM4EALDH1A1
SCHEMBL3967181 0.84 SLC6A9 (0.40) SLC6A9KMT2AMEN1KDM4EALDH1A1
SCHEMBL7744888 0.84 SLC6A9 (0.40) SLC6A9KMT2AMEN1KDM4EALDH1A1
SCHEMBL14100030 0.84 SLC6A9 (0.40) SLC6A9KMT2AMEN1KDM4EALDH1A1
Propane SCHEMBL11849460 0.78 KDM4E (0.39) SLC6A9KMT2AMEN1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1047677-B1 Process for the preparation of derivatives of 1,4,7,10-tetraazacyclododecane-1,4-diacetic acid BRACCO SPA (IT) 2005-07-20 EP claimed
EP-1602649-A2 1,4,7,10-TETRAAZACYCLODODECANE-1,4-DIACETIC ACID DERIVATIVES AS CHELATING AGENTS BRACCO S.p.A. (IT) 2005-12-07 EP disclosed
EP-1047677-B1 Process for the preparation of derivatives of 1,4,7,10-tetraazacyclododecane-1,4-diacetic acid BRACCO SPA (IT) 2005-07-20 EP disclosed
US-6342597-B1 CONDENSATION REACTION TRIETHYLENETETRAMINE WITH GLYOXAL TO CYCLIZE; OXIDATION, ALKYLATION, HYDROLYSIS, QUATERNIZATION; NUCLEAR MAGNETIC RESONANCE IMAGING DIBRA S.P.A. (IT) 2002-01-29 US disclosed