SCHEMBL21869739

SCHEMBL21869739

C=CC(=O)N(CCCN(C(=O)C=C)C1CC1)C(C)CC

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
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
SCHEMBL21869740 0.82 PSMB5 (0.34) PSMB5
SCHEMBL799415 0.79 ZDHHC20 (0.41)
SCHEMBL21075812 0.75 TSHR (0.37)
SCHEMBL28294959 0.75 ADH1A (0.36) PSMB5
SCHEMBL9420629 0.72 ADH1A (0.41)
SCHEMBL27965429 0.71 TSHR (0.39)
SCHEMBL9405112 0.70 TSHR (0.38)
SCHEMBL23420249 0.69 TSHR (0.36)
SCHEMBL25211965 0.68 ADH1A (0.47)
SCHEMBL429457 0.68 TSHR (0.42)

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-2914234-B1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2020-04-01 EP disclosed