SCHEMBL28653271

SCHEMBL28653271

CC(C)OC(=O)/C=C\c1cn(C2CCCCC2)nn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 9/20 0.42
PSMB5 P28074 8/20 0.42
PSMB9 P28065 5/20 0.42
CA12 O43570 1/20 0.41
AKR1B10 O60218 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
AKR1B1 P15121 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
HDAC11 Q96DB2 4/20 0.38
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38

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
SCHEMBL28261824 1.00 PSMB8 (0.42) PSMB8PSMB5PSMB9CA12AKR1B10
SCHEMBL28621195 1.00 PSMB8 (0.42) PSMB8PSMB5PSMB9CA12AKR1B10
SCHEMBL28261787 0.86 PSMB8 (0.41) PSMB8PSMB5PSMB9CA12CA1
SCHEMBL28640947 0.86 PSMB8 (0.41) PSMB8PSMB5PSMB9CA12CA1
SCHEMBL28630349 0.86 PSMB8 (0.41) PSMB8PSMB5PSMB9CA12CA1
SCHEMBL28261746 0.85 HDAC11 (0.41) PSMB8PSMB5PSMB9CA12CA1
SCHEMBL28624872 0.85 HDAC11 (0.41) PSMB8PSMB5PSMB9CA12CA1
SCHEMBL28624764 0.85 HDAC11 (0.41) PSMB8PSMB5PSMB9CA12CA1
SCHEMBL28629169 0.82 PSMB8 (0.38) PSMB8PSMB5PSMB9HDAC11HDAC3
SCHEMBL28643045 0.82 PSMB8 (0.38) 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