SCHEMBL7127595

SCHEMBL7127595

O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)N2CCN(C(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)CC2)CCN(CC(=O)O)CC1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.64
HSD17B10 Q99714 2/20 0.59
ALOX15 P16050 1/20 0.59
TSHR P16473 1/20 0.59
ALDH1A1 P00352 5/20 0.56
MAPT P10636 2/20 0.56
PKM P14618 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GFER P55789 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL7129737 0.94 GAA (0.63) GAAHSD17B10ALOX15TSHRALDH1A1
SCHEMBL5872643 0.91 GAA (0.65) GAAHSD17B10ALOX15TSHRALDH1A1
SCHEMBL9643768 0.88 GAA (0.50) GAAHSD17B10ALOX15TSHRALDH1A1
SCHEMBL7913433 0.87 GAA (0.50) GAAHSD17B10ALOX15TSHRALDH1A1
SCHEMBL27650122 0.86 GAA (0.48) GAAHSD17B10ALOX15TSHRALDH1A1
SCHEMBL22882728 0.86 GAA (0.48) GAAHSD17B10ALOX15TSHRALDH1A1
SCHEMBL15499763 0.85 BLM (0.49) GAAHSD17B10ALOX15TSHRALDH1A1
SCHEMBL14752935 0.85 BLM (0.49) GAAHSD17B10ALOX15TSHRALDH1A1
SCHEMBL6848102 0.84 HSD17B10 (0.64) GAAHSD17B10ALOX15TSHRALDH1A1
SCHEMBL173508 0.84 HSD17B10 (0.64) GAAHSD17B10ALOX15TSHRALDH1A1

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-0722442-B1 POLYAZACYCLOALKANES AS DICHELANTS NYCOMED SALUTAR INC (US) 2003-01-15 EP disclosed
US-5972307-A ADMINISTERING TO HUMAN OR ANIMAL BODY AN EFFECTIVE AMOUNT OF A DIAGNOSTIC AGENT COMPRISES A METAL CHELATE OF A COMPOUND HAVING TWO MACROCYCLIC CHELANT GROUPS LINKED BY A BRIDGE CONTAINING ESTER OR AMIDE BOND NYCOMED SALUTAR, INC. (US) 1999-10-26 US disclosed
US-5650133-A CHELATING AGENTS USEFUL IN DIAGNOSTIC AND THERAPEUTIC COMPOSITIONS NYCOMED SALUTAR (US) 1997-07-22 US disclosed
WO-1995009848-A2 POLYAZACYCLOALKANES AS DICHELANTS NYCOMED SALUTAR, INC. (US) 1995-04-13 WO disclosed