SCHEMBL19633539

SCHEMBL19633539

C=CC(=O)[C@H](CC)CCCCCN(CC)C(=O)C=C

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 2/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
CA2 P00918 3/20 0.32
MAPK1 P28482 1/20 0.32
CA1 P00915 2/20 0.31
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30
PSMB5 P28074 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
SCHEMBL19622371 1.00 ZDHHC20 (0.44) ZDHHC20ZDHHC2CA2MAPK1CA1
SCHEMBL20280100 0.84 ZDHHC20 (0.36) ZDHHC20ZDHHC2CA2MAPK1CA1
SCHEMBL16776745 0.82 ZDHHC20 (0.59) ZDHHC20ZDHHC2CA2CA1CA12
SCHEMBL16776752 0.82 ZDHHC20 (0.59) ZDHHC20ZDHHC2CA2CA1CA12
SCHEMBL16776772 0.80 ZDHHC20 (0.56) ZDHHC20ZDHHC2CA2CA1CA12
SCHEMBL14494911 0.80 ZDHHC20 (0.48) ZDHHC20ZDHHC2CA1CA12CA9
SCHEMBL14494909 0.78 ZDHHC20 (0.45) ZDHHC20ZDHHC2CA1CA12CA9
SCHEMBL6514883 0.77 ZDHHC20 (0.68) ZDHHC20ZDHHC2CA2CA1CA12
SCHEMBL2483441 0.77 ZDHHC20 (0.68) ZDHHC20ZDHHC2CA2CA1CA12
SCHEMBL15233346 0.77 ZDHHC20 (0.68) ZDHHC20ZDHHC2CA2CA1CA12

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
WO-2017198843-A1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2017-11-23 WO disclosed