SCHEMBL1197622

SCHEMBL1197622

O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)C2CCCCC2N(CC(=O)O)CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
SLC6A9 P48067 2/20 0.38
ACE P12821 2/20 0.37
LTA4H P09960 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL7524866 0.81 LTA4H (0.37) ITGB3ITGA2BSLC6A9ACELTA4H
SCHEMBL9112029 0.79 HSD17B10 (0.41) HSD17B10ITGB3ITGA2BSLC6A9
SCHEMBL30764646 0.78 NPC1 (0.35) SLC6A9POLBTSHRDRD2DRD4
Tetraxetan SCHEMBL2635294 0.76 HSD17B10 (0.64) HSD17B10SLC6A9TSHR
SCHEMBL321989 0.76 HSD17B10 (0.64) HSD17B10SLC6A9TSHR
SCHEMBL6848102 0.76 HSD17B10 (0.64) HSD17B10SLC6A9TSHR
Tetraxetan SCHEMBL2017956 0.76 HSD17B10 (0.64) HSD17B10SLC6A9TSHR
SCHEMBL173508 0.76 HSD17B10 (0.64) HSD17B10SLC6A9TSHR
Tetraxetan SCHEMBL18018 0.76 HSD17B10 (0.64) HSD17B10SLC6A9TSHR
SCHEMBL6744121 0.76 HSD17B10 (0.64) HSD17B10SLC6A9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030064026-A1 Lipophilic metal complexes for necrosis and infarction imaging SCHERING AG (DE) 2003-04-03 US claimed
US-6495118-B1 Lipophilic metal complexes for necrosis and infarction imaging SCHERING AKTIENGESELLSCHAFT (DE) 2002-12-17 US claimed
US-8741262-B2 Targeted radiotherapy KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-06-03 US disclosed
EP-2219683-B1 TARGETED RADIOTHERAPY UNIV LEUVEN KATH (BE) 2012-05-30 EP disclosed
US-20110038795-A1 TARGETED RADIOTHERAPY KATHOLIEKE UNIVERSITEIT LEUVEN K.U.LEUVEN R&D (BE) 2011-02-17 US disclosed
EP-1184377-B1 Hepatobiliary magnetic resonance contrast agents BRACCO INT BV (NL) 2005-02-02 EP disclosed
US-20030064026-A1 Lipophilic metal complexes for necrosis and infarction imaging SCHERING AG (DE) 2003-04-03 US disclosed
EP-1017424-A1 LIPOPHILIC METAL COMPLEXES FOR NECROSIS AND INFARCT IMAGING SCHERING AKTIENGESELLSCHAFT (DE) 2000-07-12 EP disclosed
WO-1999016474-A1 LIPOPHILIC METAL COMPLEXES FOR NECROSIS AND INFARCT IMAGING SCHERING AKTIENGESELLSCHAFT (DE) 1999-04-08 WO disclosed