SCHEMBL7796153

SCHEMBL7796153

CN(C)CCN(C)CC(=O)O.[LiH]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA2 P00918 1/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
MVD P53602 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
EYA2 O00167 1/20 0.42
APP P05067 1/20 0.42
ACE P12821 1/20 0.42
BHMT Q93088 1/20 0.42
BLM P54132 2/20 0.40
PMP22 Q01453 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL2000449 0.97 CA12 (0.50) CA12CA2CA3CA4CA6
SCHEMBL14385366 0.95 CA12 (0.55) CA12CA2CA3CA4CA6
SCHEMBL918386 0.89 TDP1 (0.50) CA12CA2CA3CA4CA6
SCHEMBL27018147 0.89 TDP1 (0.58) CA12CA2CA3CA4CA6
SCHEMBL16576609 0.82 TDP1 (0.41) CA12CA2CA3CA4CA6
SCHEMBL14392744 0.81 TDP1 (0.64) CA12CA2CA3CA4CA6
SCHEMBL14823493 0.80 TDP1 (0.67) CA12CA2CA4CA9MVD
SCHEMBL27018199 0.80 MVD (0.43) MVDTDP1EYA2APPACE
SCHEMBL14390689 0.80 TDP1 (0.70) CA12CA2CA4CA9MVD
SCHEMBL11723098 0.79 LTA4H (0.49) MVDTDP1EYA2APPACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010003726-A1 INITIATION SYSTEM COMPRISING AN AMINO ALCOHOLATE LIGAND FOR ANIONIC COPOLYMERIZATION OF (METH)ACRYLIC MONOMERS AND PROCESS USING SAME ELF ATOCHEM S.A. (FR) 2001-06-14 US disclosed