SCHEMBL9705641

SCHEMBL9705641

CCN(CC)c1ccccc1Oc1ccccc1N(CC)CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
TSPO P30536 1/20 0.38
TSHR P16473 1/20 0.38
ESR1 P03372 1/20 0.36
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
ALDH1A1 P00352 3/20 0.34
CNR2 P34972 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
SCHEMBL11133752 0.84 CA1 (0.50) TDP1GAAMAPTTSHRESR1
SCHEMBL9298623 0.83 ALDH1A1 (0.50) TDP1GAAMAPTL3MBTL1ALDH1A1
Nitrogen SCHEMBL4600860 0.81 ESR1 (0.46) TDP1GAAMAPTTSHRESR1
SCHEMBL6299189 0.80 TSHR (0.46) TDP1GAAMAPTTSHRL3MBTL1
SCHEMBL31718395 0.80 TSHR (0.46) TDP1GAAMAPTTSHRL3MBTL1
SCHEMBL10689905 0.79 TDP1 (0.50) TDP1MAPTL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL6340984 0.78 TDP1 (0.38) TDP1GAAMAPTTSHRESR1
SCHEMBL9767965 0.78 CHRNA7 (0.41) TDP1MAPTTSPOTSHRSLC6A2
SCHEMBL8825997 0.78 TSPO (0.47) MAPTTSPOTSHRSLC6A2SLC6A4
SCHEMBL13230069 0.77 L3MBTL1 (0.56) TDP1GAAMAPTL3MBTL1ALDH1A1

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-0214852-B1 PERFLUOROAMINOETHERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-10-28 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