SCHEMBL19488653

SCHEMBL19488653

C=CC(=C)N(CC)CCCN(CC)C(=O)C=C

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 2/20 0.45
ZDHHC2 Q9UIJ5 1/20 0.45
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA9 Q16790 2/20 0.36
LMNA P02545 1/20 0.33
PSMB5 P28074 2/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL633117 0.90 ZDHHC20 (0.51) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL28318912 0.87 ZDHHC20 (0.46) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL16776772 0.86 ZDHHC20 (0.56) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL16776745 0.84 ZDHHC20 (0.59) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL16776752 0.84 ZDHHC20 (0.59) ZDHHC20ZDHHC2CA12CA1CA9
Acrylamide SCHEMBL19858899 0.83 ZDHHC20 (0.46) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL4577981 0.82 ZDHHC20 (0.57) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL2004205 0.82 ZDHHC20 (0.46) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL21350940 0.81 ZDHHC20 (0.45) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL15233345 0.81 ZDHHC20 (0.65) ZDHHC20ZDHHC2CA12CA1CA9

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
EP-3231413-A1 DENTAL COMPOSITION DENTSPLY DETREY GmbH (DE) 2017-10-18 EP disclosed