SCHEMBL6661841

SCHEMBL6661841

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.38
PGR P06401 4/20 0.33
PDK2 Q15119 3/20 0.33
PDK4 Q16654 2/20 0.33
HCAR3 P49019 2/20 0.32
KDM6B O15054 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
PDK1 Q15118 1/20 0.31
PDK3 Q15120 1/20 0.31
LMNA P02545 1/20 0.31
MAOB P27338 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
ELANE P08246 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL6658396 0.80 IDO1 (0.35) IDO1HCAR3KDM6BKDM4CLMNA
SCHEMBL6382097 0.79 MAPT (0.40) LMNA
SCHEMBL6659302 0.77 CISD1 (0.36) IDO1PDK2PDK4PDK1PDK3
SCHEMBL6384287 0.77 KDM4E (0.40) PGRPDK2PDK4LMNAHDAC1
SCHEMBL6658205 0.72 FLI1 (0.32) PDK2PDK4PDK1PDK3LMNA
SCHEMBL6662193 0.71 DRD2 (0.47) IDO1LMNAADRA2AADRA2B
SCHEMBL6657121 0.70 DRD2 (0.38) IDO1HCAR3KDM6BKDM4C
SCHEMBL8555558 0.67 GABRA1 (0.42) PGRPDK2PDK4LMNAELANE
SCHEMBL6382101 0.66 PGR (0.33) PGRPDK2PDK4MAOBELANE
SCHEMBL3150359 0.64 PDK2 (0.52) PGRPDK2PDK4PDK1PDK3

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