SCHEMBL6860206

SCHEMBL6860206

O=CCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.51
SIGMAR1 Q99720 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
HSD17B10 Q99714 1/20 0.39
TSHR P16473 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
MDM2 Q00987 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL6861014 0.90 SIGMAR1 (0.54) ALDH1A1SMN1; SMN2SIGMAR1TDP1HSD17B10
SCHEMBL7128542 0.89 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2SIGMAR1TDP1HSD17B10
SCHEMBL20281352 0.82 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2SIGMAR1TDP1HSD17B10
SCHEMBL25040447 0.81 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2SIGMAR1TDP1HSD17B10
SCHEMBL14403436 0.81 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2SIGMAR1TDP1HSD17B10
SCHEMBL26207612 0.81 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2SIGMAR1TDP1HSD17B10
SCHEMBL8913803 0.81 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2SIGMAR1TDP1HSD17B10
SCHEMBL19088200 0.81 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2SIGMAR1TDP1HSD17B10
SCHEMBL16731669 0.80 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2SIGMAR1TDP1HSD17B10
SCHEMBL8034106 0.80 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2SIGMAR1TDP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6719958-B1 DIAGNOSTIC IMAGING; CONTRAST AGENTS FOR TISSUES OR ORGANS DIBRA S.P.A. (IT) 2004-04-13 US disclosed
EP-1151997-A1 Polychelants, their complexes with metal ions, their preparation and their uses BRACCO S.p.A. (IT) 2001-11-07 EP disclosed
EP-0760683-B1 BILE ACID CONJUGATES, DERIVATIVES THEREOF WITH METAL COMPLEXES AND RELATED USES BRACCO SPA (IT) 2000-01-05 EP disclosed
EP-0885202-A1 POLYCHELANTS, THEIR COMPLEXES WITH METAL IONS, THEIR PREPARATION AND THEIR USES BRACCO S.p.A. (IT) 1998-12-23 EP disclosed
WO-1997032862-A1 POLYCHELANTS, THEIR COMPLEXES WITH METAL IONS, THEIR PREPARATION AND THEIR USES BRACCO S.P.A. (IT) 1997-09-12 WO disclosed
US-5649537-A CONJUGATION OF A BILE ACID WITH A CHELATING AGENT AND BI- OR TRIVALENT METALS; IMAGING OF THE HEPTATOBILIARY SYSTEM; NUCLEAR MAGNETIC RESONANCE DIBRA S.P.A. (IT) 1997-07-22 US disclosed
EP-0760683-A1 BILE ACID CONJUGATES, DERIVATIVES THEREOF WITH METAL COMPLEXES AND RELATED USES BRACCO S.p.A. (IT) 1997-03-12 EP disclosed
WO-1995032741-A1 BILE ACID CONJUGATES, DERIVATIVES THEREOF WITH METAL COMPLEXES AND RELATED USES BRACCO S.P.A. (IT) 1995-12-07 WO disclosed