SCHEMBL30889129

SCHEMBL30889129

O=C(Br)OC1=CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
GSTP1 P09211 1/20 0.32
CTSK P43235 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
HSD11B1 P28845 1/20 0.31
ACMSD Q8TDX5 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
SCHEMBL30889130 0.98 HDAC4 (0.37) HDAC4HDAC2HDAC8HDAC6GSTP1
SCHEMBL30889167 0.98 HDAC4 (0.37) HDAC4HDAC2HDAC8HDAC6GSTP1
SCHEMBL30889147 0.94
SCHEMBL11528045 0.83 HDAC4 (0.38) HDAC4HDAC2HDAC8HDAC6GSTP1
SCHEMBL20440725 0.83 HDAC4 (0.41) HDAC4HDAC2HDAC8HDAC6GSTP1
SCHEMBL166015 0.83 HDAC4 (0.41) HDAC4HDAC2HDAC8HDAC6GSTP1
SCHEMBL3409037 0.81 HDAC4 (0.39) HDAC4HDAC2HDAC8HDAC6GSTP1
SCHEMBL20440728 0.81 HDAC4 (0.39) HDAC4HDAC2HDAC8HDAC6GSTP1
SCHEMBL2185733 0.81 HDAC4 (0.39) HDAC4HDAC2HDAC8HDAC6GSTP1
SCHEMBL14606263 0.80 HDAC4 (0.36) HDAC4HDAC2HDAC8HDAC6GSTP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024094637-A1 PROCESS FOR THE PREPARATION OF CYCLIC KETONES ARXADA AG (CH) 2024-05-10 WO claimed
WO-2024094637-A1 PROCESS FOR THE PREPARATION OF CYCLIC KETONES ARXADA AG (CH) 2024-05-10 WO disclosed