SCHEMBL6663836

SCHEMBL6663836

CCCNc1cc(Cl)c2c(c1O)C(C)(C)CC(=O)N2.CCCNc1ccc2c(c1O)C(C)(C)CC(=O)N2

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.32
HDAC4 P56524 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC9 Q9UKV0 2/20 0.32
LMNA P02545 1/20 0.31
CISD1 Q9NZ45 1/20 0.31

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
SCHEMBL6655341 0.92 LMNA (0.35) LMNACISD1
SCHEMBL6658396 0.89 IDO1 (0.35) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL6659420 0.77 LMNA (0.34) LMNA
SCHEMBL6384831 0.76 CYP3A4 (0.35) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL6659302 0.75 CISD1 (0.36) LMNACISD1
SCHEMBL6383716 0.74 ROCK2 (0.34) LMNA
SCHEMBL6656072 0.74 CISD1 (0.37) LMNACISD1
SCHEMBL6662700 0.73 CISD1 (0.36) LMNACISD1
SCHEMBL6380842 0.72 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL6661841 0.71 IDO1 (0.38) HDAC1HDAC6LMNA

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
EP-1438949-A1 Composition for dyeing keratinous fibres comprising an acylaminophenol coupler L'OREAL (FR) 2004-07-21 EP disclosed