SCHEMBL10487113

SCHEMBL10487113

CCOC(CC(=O)N=C(N)N)OCC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.33
BACE1 P56817 1/20 0.32
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
MAOA P21397 1/20 0.30
ADRA1D P25100 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
ADRA1A P35348 1/20 0.30
DRD3 P35462 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL4137634 0.76 ALOX15 (0.40) ALOX15MEN1LMNAKMT2AHSD17B10
SCHEMBL11596765 0.69 GAA (0.37) CYP3A4CYP2C9CYP2C19
SCHEMBL1878811 0.69 ALDH1A1 (0.43) ALOX15LMNAKMT2AHSD17B10
SCHEMBL202165 0.69 SLC22A6 (0.39) ALOX15LMNACYP2C9CYP2C19
SCHEMBL2874716 0.69 ALDH1A1 (0.43) ALOX15LMNAKMT2AHSD17B10
SCHEMBL1070818 0.68
SCHEMBL21081924 0.67 ALDH1A1 (0.40) LMNAHSD17B10
SCHEMBL10085240 0.67 TSHR (0.36) LMNAHSD17B10
SCHEMBL4483900 0.67 TDP1 (0.43) LMNAHSD17B10
SCHEMBL28746748 0.67 ALOX15 (0.36) ALOX15

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
US-4801699-A COATINGS, ADHESIVES, WET STRENGTH AGENTS IN PAPERMAKING NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1989-01-31 US disclosed
US-4801699-A COATINGS, ADHESIVES, WET STRENGTH AGENTS IN PAPERMAKING NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1989-01-31 US disclosed
US-4749800-A DIALKOXYPROPIONYL QUANIDINE NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1988-06-07 US disclosed
US-4749800-A DIALKOXYPROPIONYL QUANIDINE NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1988-06-07 US disclosed