SCHEMBL28643045

SCHEMBL28643045

O=C(/C=C\c1cn(C2CCCCC2)nn1)OC1CCCCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 8/20 0.38
PSMB5 P28074 8/20 0.38
PSMB9 P28065 4/20 0.38
HDAC11 Q96DB2 4/20 0.38
HTT P42858 1/20 0.36
HDAC3 O15379 3/20 0.34
HDAC1 Q13547 3/20 0.34
HDAC2 Q92769 3/20 0.34
HDAC10 Q969S8 3/20 0.34
HDAC8 Q9BY41 3/20 0.34
HDAC6 Q9UBN7 3/20 0.34
HDAC4 P56524 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC9 Q9UKV0 2/20 0.34
HDAC5 Q9UQL6 2/20 0.34
CYP19A1 P11511 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
SMYD3 Q9H7B4 1/20 0.32
ACHE P22303 2/20 0.32
GLS O94925 1/20 0.32

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
SCHEMBL28628273 1.00 PSMB8 (0.38) PSMB8PSMB5PSMB9HDAC11HTT
SCHEMBL28643021 1.00 PSMB8 (0.38) PSMB8PSMB5PSMB9HDAC11HTT
SCHEMBL28629169 1.00 PSMB8 (0.38) PSMB8PSMB5PSMB9HDAC11HTT
SCHEMBL28648463 1.00 PSMB8 (0.38) PSMB8PSMB5PSMB9HDAC11HTT
SCHEMBL28630277 1.00 PSMB8 (0.38) PSMB8PSMB5PSMB9HDAC11HTT
SCHEMBL28623277 1.00 PSMB8 (0.38) PSMB8PSMB5PSMB9HDAC11HTT
SCHEMBL28638167 1.00 PSMB8 (0.38) PSMB8PSMB5PSMB9HDAC11HTT
SCHEMBL28630349 0.86 PSMB8 (0.41) PSMB8PSMB5PSMB9HDAC11HDAC3
SCHEMBL28640947 0.86 PSMB8 (0.41) PSMB8PSMB5PSMB9HDAC11HDAC3
SCHEMBL28261787 0.86 PSMB8 (0.41) PSMB8PSMB5PSMB9HDAC11HDAC3

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
CN-108997233-B Synthesis method of (Z) -configuration alkenyl ester triazole compound 陕西师范大学 2021-09-21 CN disclosed