SCHEMBL360603

SCHEMBL360603

CCCN(C(N)=O)N(C)C.CCOCl

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ALOX15 P16050 1/20 0.32

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
SCHEMBL5631353 0.88 CA12 (0.36) CA12CA2CA9
Hydrochloric Acid SCHEMBL10752962 0.86 CA12 (0.34) CA12CA2CA9
Hydrochloric Acid SCHEMBL10752958 0.86 CA12 (0.34) CA12CA2CA9
SCHEMBL27553283 0.75 CA1 (0.40) CA12CA2CA9
SCHEMBL7830373 0.72 DNM1 (0.44) ALOX15
SCHEMBL8355330 0.72 DNM1 (0.44) ALOX15
SCHEMBL606877 0.70 ALDH1A1 (0.35)
SCHEMBL27605113 0.69 ALDH1A1 (0.39) CA12CA2CA9ALOX15
SCHEMBL3261118 0.69 ALDH1A1 (0.37) CA12CA2CA9
SCHEMBL10906150 0.69 LTA4H (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097229-B2 Methods for manufacturing functionalized inorganic oxides and polymers incorporating same HEADWATERS TECHNOLOGY INNOVATION, LLC (US) 2012-01-17 US disclosed
WO-2007084904-A2 METHODS FOR MANUFACTURING FUNCTIONALIZED INORGANIC OXIDES AND POLYMERS INCORPORATING SAME HEADWATERS TECHNOLOGY INNOVATION LLC (US) 2007-07-26 WO disclosed
US-20070167562-A1 Methods for manufacturing functionalized inorganic oxides and polymers incorporating same HEADWATERS HEAVY OIL, LLC 2007-07-19 US disclosed