SCHEMBL21869740

SCHEMBL21869740

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

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.34
KMT2A Q03164 1/20 0.31
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 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
SCHEMBL28294959 0.84 ADH1A (0.36) PSMB5ZDHHC20ZDHHC2
SCHEMBL21869739 0.82 PSMB5 (0.30) PSMB5
SCHEMBL9420629 0.81 ADH1A (0.41) KMT2AZDHHC20ZDHHC2
SCHEMBL15715529 0.79 PSMB5 (0.34) PSMB5
SCHEMBL17665956 0.78 PSMB5 (0.39) PSMB5
SCHEMBL7760713 0.77 ALDH1A1 (0.37) KMT2A
SCHEMBL25211965 0.76 ADH1A (0.47) KMT2AZDHHC20ZDHHC2
SCHEMBL11505771 0.74 ALDH1A1 (0.39)
SCHEMBL4438446 0.72 ALDH1A1 (0.35) KMT2A
SCHEMBL27792048 0.72 ALDH1A1 (0.35) KMT2A

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