SCHEMBL8562841

SCHEMBL8562841

COCCOCCN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.40
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL8556727 0.89 HSD11B1 (0.47) HSD11B1HSD17B10ALDH1A1KDM4ETDP1
SCHEMBL8314707 0.89 ALDH1A1 (0.39) ALDH1A1KDM4ETDP1LMNAGAA
Hydrochloric Acid SCHEMBL1373203 0.87 HSD11B1 (0.46) HSD11B1HSD17B10ALDH1A1KDM4ETDP1
SCHEMBL8313856 0.87 ALDH1A1 (0.39) ALDH1A1KDM4ETDP1LMNAGAA
SCHEMBL8393125 0.87 HSD11B1 (0.33) HSD11B1ALDH1A1KDM4ETDP1MEN1
SCHEMBL15374964 0.86 PAOX (0.42) HSD11B1ALDH1A1KDM4ETDP1MEN1
SCHEMBL16923658 0.86 PAOX (0.42) HSD11B1ALDH1A1KDM4ETDP1MEN1
SCHEMBL8669880 0.84 HTR1A (0.43) HSD17B10ALDH1A1KDM4ETDP1MEN1
SCHEMBL5487629 0.83 KDM4E (0.43) HSD11B1ALDH1A1KDM4E
SCHEMBL16758742 0.83 HSD11B1 (0.47) HSD11B1ALDH1A1KDM4ETDP1MEN1

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-0700392-B1 USE OF MACROCYCLIC METAL COMPLEXES AS TEMPERATURE PROBES SCHERING AG (DE) 1998-12-09 EP disclosed
US-5747000-A 1,4-7-TRIS-(CARBOXYMETHYL)-1,4,7,10-TETRAAZACYCLODODECANE DERIVATIVES; DETERMINING CHEMICAL SHIFT OF SIGNALS IN NUCLEAR MAGNETIC RESONANCE SCHERING AKTIENGESELLSCHAFT (DE) 1998-05-05 US disclosed
EP-0700392-A1 USE OF MACROCYCLIC METAL COMPLEXES AS TEMPERATURE PROBES SCHERING AKTIENGESELLSCHAFT (DE) 1996-03-13 EP disclosed
WO-1994027977-A1 USE OF MACROCYCLIC METAL COMPLEXES AS TEMPERATURE PROBES SCHERING AKTIENGESELLSCHAFT (DE) 1994-12-08 WO disclosed