SCHEMBL7754074

SCHEMBL7754074

CC(C)c1[c]ccc(C2CCCC2)c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
ACMSD Q8TDX5 2/20 0.33
KMO O15229 1/20 0.33
BACE1 P56817 1/20 0.32
EPHX2 P34913 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
KCNH2 Q12809 1/20 0.30
APP P05067 1/20 0.30
CYP11B2 P19099 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
SCHEMBL20995435 0.94 HTR2C (0.31)
SCHEMBL28299092 0.77 HDAC8 (0.38) HDAC4HDAC2HDAC8ACMSDKMO
SCHEMBL1778645 0.76 KMO (0.40) HDAC4HDAC2HDAC8ACMSDKMO
SCHEMBL11270086 0.76 HDAC4 (0.37) HDAC4HDAC2HDAC8ACMSDKMO
SCHEMBL6568489 0.74 KMO (0.39) HDAC4HDAC2HDAC8ACMSDKMO
SCHEMBL29125236 0.74 KMO (0.39) HDAC4HDAC2HDAC8ACMSDKMO
SCHEMBL1636811 0.72 HDAC8 (0.37) HDAC4HDAC2HDAC8ACMSDKMO
SCHEMBL27008281 0.72 ESR2 (0.35) HDAC4HDAC2HDAC8ACMSDKMO
SCHEMBL1638138 0.71 HDAC4 (0.34) HDAC4HDAC2HDAC8ACMSDKMO
SCHEMBL432693 0.70 KMO (0.39) HDAC4HDAC2HDAC8ACMSDKMO

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
EP-1071660-A1 N-SULPHONYL AND N-SULPHINYL PHENYLGLYCINAMIDE Novartis AG (CH) 2001-01-31 EP disclosed
WO-1999043644-A1 N-SULPHONYL AND N-SULPHINYL PHENYLGLYCINAMIDE___________________ NOVARTIS AG (CH) 1999-09-02 WO disclosed