SCHEMBL30889155

SCHEMBL30889155

O=C(Cl)OC1=CCCCCC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
GSTP1 P09211 1/20 0.31
CTSK P43235 1/20 0.31
KDM1A O60341 1/20 0.31
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 0.30

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
SCHEMBL21616472 1.00 HDAC4 (0.37) HDAC4HDAC2HDAC8HDAC6ALDH1A1
SCHEMBL10345583 0.98 HDAC4 (0.38) HDAC4HDAC2HDAC8HDAC6ALDH1A1
SCHEMBL30889152 0.92
SCHEMBL20440728 0.83 HDAC4 (0.39) HDAC4HDAC2HDAC8HDAC6ALDH1A1
SCHEMBL2185733 0.83 HDAC4 (0.39) HDAC4HDAC2HDAC8HDAC6ALDH1A1
SCHEMBL10801637 0.82 HDAC4 (0.38) HDAC4HDAC2HDAC8HDAC6ALDH1A1
SCHEMBL29174091 0.82 HDAC4 (0.38) HDAC4HDAC2HDAC8HDAC6ALDH1A1
SCHEMBL20440725 0.81 HDAC4 (0.41) HDAC4HDAC2HDAC8HDAC6ALDH1A1
SCHEMBL166015 0.81 HDAC4 (0.41) HDAC4HDAC2HDAC8HDAC6ALDH1A1
SCHEMBL30889134 0.81

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