SCHEMBL16622311

SCHEMBL16622311

C=COC(=O)NCCCO

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
ACHE P22303 12/20 0.41
EPHX1 P07099 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
PTGS1 P23219 1/20 0.34
KCNH2 Q12809 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 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
SCHEMBL35664 0.87
SCHEMBL13055391 0.84 TSHR (0.35) TDP1ACHEEPHX1ZDHHC20ZDHHC2
SCHEMBL28396215 0.82 ACHE (0.57) ACHEEPHX1ZDHHC20ZDHHC2
SCHEMBL334257 0.80 ACHE (0.37) ACHEEPHX1
SCHEMBL7513885 0.80 HTT (0.46)
SCHEMBL7966153 0.80 EPHX1 (0.60) ACHEEPHX1ZDHHC20ZDHHC2
SCHEMBL1416150 0.79 TDP1 (0.47) TDP1ACHEEPHX1PTGS1KCNH2
SCHEMBL24386122 0.79 EPHX1 (0.44) TDP1ACHEEPHX1ZDHHC20ZDHHC2
SCHEMBL3746705 0.79 EPHX1 (0.63) ACHEEPHX1ZDHHC20ZDHHC2
SCHEMBL3663444 0.79 EPHX1 (0.63) ACHEEPHX1ZDHHC20ZDHHC2

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-8999323-B2 Composition that can be cured by polymerisation for the production of biodegradable, biocompatible, cross-linkable polymers on the basis of polyvinyl alcohol TECHNISCHE UNIVERSITÄT WIEN (AT) 2015-04-07 US disclosed