SCHEMBL160030

SCHEMBL160030

CCOc1cccc(N=C=Nc2ccccc2)c1OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 6/20 0.38
GLA P06280 1/20 0.38
HTR1A P08908 2/20 0.38
ADRA1D P25100 2/20 0.38
ADRA1A P35348 2/20 0.38
ADRA1B P35368 2/20 0.38
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
KDM4E B2RXH2 2/20 0.33
TSHR P16473 1/20 0.33
HPGD P15428 1/20 0.33
PABPC1 P11940 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
PDK2 Q15119 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL28047789 0.81 ALDH1A1 (0.41) ALDH1A1L3MBTL1GLAHTR1AADRA1D
SCHEMBL441631 0.80 ALDH1A1 (0.48) ALDH1A1L3MBTL1GLAMAPTNPSR1
SCHEMBL3955069 0.80 CYP3A4 (0.47) ALDH1A1L3MBTL1GLAHTR1AADRA1D
SCHEMBL15805993 0.74 L3MBTL1 (0.49) ALDH1A1L3MBTL1GLAHTR1AADRA1D
SCHEMBL2068454 0.72 ALDH1A1 (0.54) ALDH1A1L3MBTL1GLAHTR1AADRA1D
SCHEMBL27568539 0.70 ALDH1A1 (0.46) ALDH1A1L3MBTL1GLAMAPTNPSR1
SCHEMBL18563045 0.69 CYP3A4 (0.54) ALDH1A1MAPTTSHRHPGDCYP1A2
Methyl Alcohol SCHEMBL28171303 0.68 ALDH1A1 (0.50) ALDH1A1L3MBTL1GLAHTR1AADRA1D
Potassium Ion SCHEMBL28222970 0.68 ALDH1A1 (0.50) ALDH1A1L3MBTL1GLAHTR1AADRA1D
SCHEMBL9491190 0.68 CYP3A4 (0.53) ALDH1A1L3MBTL1GLAMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103189920-A Hydrodynamic disk drive spindle motor with hydrodynamic bearing having lubricant SEAGATE TECHNOLOGY LLC 2013-07-03 CN disclosed
WO-2012030410-A1 HYDRODYNAMIC DISC DRIVE SPINDLE MOTOR HAVING HYDRO BEARING WITH LUBRICANT SEAGATE TECHNOLOGY LLC (US) 2012-03-08 WO disclosed