SCHEMBL7769887

SCHEMBL7769887

CC(C)C(=O)C(C)(C)C1=CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CTSK P43235 1/20 0.32
ACMSD Q8TDX5 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPK1 P28482 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
SCHEMBL2222652 0.79 HDAC4 (0.37) ALDH1A1HDAC4HDAC2HDAC8HDAC6
SCHEMBL9458910 0.79 HDAC4 (0.37) ALDH1A1HDAC4HDAC2HDAC8HDAC6
SCHEMBL15114615 0.75 HDAC4 (0.38) ALDH1A1HDAC4HDAC2HDAC8HDAC6
SCHEMBL3149225 0.74 ALDH1A1 (0.33) ALDH1A1HDAC4HDAC2HDAC8HDAC6
SCHEMBL4196065 0.73 HDAC4 (0.35) ALDH1A1HDAC4HDAC2HDAC8HDAC6
SCHEMBL15114678 0.73 HDAC4 (0.35) ALDH1A1HDAC4HDAC2HDAC8HDAC6
SCHEMBL28736543 0.72 GSTP1 (0.37) ALDH1A1HDAC4HDAC2HDAC8HDAC6
SCHEMBL15114393 0.72 HDAC3 (0.34) ALDH1A1HDAC4HDAC2HDAC8HDAC6
SCHEMBL15975034 0.72 HDAC4 (0.37) ALDH1A1HDAC4HDAC2HDAC8HDAC6
SCHEMBL10439063 0.71 CNR2 (0.38) ALDH1A1SMN1; SMN2

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
JP-2001302475-A COMPOSITION FOR ORAL CAVITY LION CORP 2001-10-31 JP disclosed