SCHEMBL6658396

SCHEMBL6658396

CCCNc1ccc2c(c1O)C(C)(C)CC(=O)N2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.35
LMNA P02545 1/20 0.35
HDAC3 O15379 5/20 0.34
HDAC4 P56524 5/20 0.34
HDAC1 Q13547 5/20 0.34
HDAC2 Q92769 5/20 0.34
HDAC8 Q9BY41 5/20 0.34
HDAC6 Q9UBN7 5/20 0.34
HDAC9 Q9UKV0 5/20 0.34
DRD2 P14416 1/20 0.34
PRKAB2 O43741 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAG3 Q9UGI9 1/20 0.32
PRKAG2 Q9UGJ0 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
KDM4E B2RXH2 2/20 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
SCHEMBL6663836 0.89 HDAC3 (0.32) LMNAHDAC3HDAC4HDAC1HDAC2
SCHEMBL6380842 0.81 HDAC3 (0.41) LMNAHDAC3HDAC4HDAC1HDAC2
SCHEMBL6661841 0.80 IDO1 (0.38) IDO1LMNAHDAC1HDAC6CNR1
SCHEMBL6655341 0.79 LMNA (0.35) LMNACNR1CNR2
SCHEMBL6383770 0.78 HDAC3 (0.38) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL6386822 0.77 HDAC3 (0.33) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL6662193 0.77 DRD2 (0.47) IDO1LMNADRD2KDM4E
SCHEMBL6657121 0.76 DRD2 (0.38) IDO1DRD2HCAR3KDM6BKDM4C
SCHEMBL6659420 0.74 LMNA (0.34) LMNAALDH1A1
SCHEMBL1771894 0.70 HDAC3 (0.54) LMNAHDAC3HDAC4HDAC1HDAC2

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