SCHEMBL7114010

SCHEMBL7114010

CCCN(CCC)CCCOCCCN(CCC)CCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.36
FDPS P14324 1/20 0.35
CYP3A4 P08684 2/20 0.34
ATP4A P20648 1/20 0.33
ATP4B P51164 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33
DRD3 P35462 1/20 0.33
SCN1A P35498 1/20 0.33

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
SCHEMBL18568446 0.95 TSHR (0.48) TSHRKMT2AMEN1THRBHTT
SCHEMBL9812527 0.92 MEN1 (0.39) TSHRKMT2AMEN1THRBHTT
SCHEMBL8861569 0.89 TSHR (0.33) TSHRKMT2AMEN1THRBHTT
SCHEMBL9549560 0.84 THRB (0.54) TSHRKMT2AMEN1THRBHTT
SCHEMBL9549581 0.84 THRB (0.54) TSHRKMT2AMEN1THRBHTT
SCHEMBL9706139 0.84 HTR1B (0.40) TSHRKMT2AMEN1CYP3A4LMNA
SCHEMBL9705211 0.82 MEN1 (0.41) TSHRKMT2AMEN1CYP3A4HTR1A
SCHEMBL9705218 0.82 MEN1 (0.41) TSHRKMT2AMEN1CYP3A4HTR1A
SCHEMBL9705659 0.82 MEN1 (0.41) TSHRKMT2AMEN1CYP3A4HTR1A
SCHEMBL23606367 0.82 THRB (0.46) TSHRKMT2AMEN1THRBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0928809-B1 POLYSACCHARIDE DERIVATIVE/MAGNETIC METAL OXIDE COMPOSITE MEITO SANGYO KK (JP) 2003-10-22 EP disclosed
US-6165378-A Polysaccharide derivative/magnetic metal oxide composite MEITO SANGYO KABUSHIKI KAISHA (JP) 2000-12-26 US disclosed
EP-0928809-A1 POLYSACCHARIDE DERIVATIVE/MAGNETIC METAL OXIDE COMPOSITE MEITO SANGYO KABUSHIKI KAISHA (JP) 1999-07-14 EP disclosed
US-5049670-A Pour point MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-09-17 US disclosed
US-4929725-A NONFLAMMABLE, HYDRAULIC FLUIDS MOORE GEORGE G I (US) 1990-05-29 US disclosed
US-4788339-A HIGH BOILING, LOW POUR POINT; HYDRAULIC FLUIDS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-11-29 US disclosed