SCHEMBL7904647

SCHEMBL7904647

COc1ccc(CCn2ccccc2=O)cc1-c1cccc(NO)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.40
HDAC4 P56524 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
PDE4B Q07343 5/20 0.38
FFAR1 O14842 1/20 0.38
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
LMNA P02545 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
HTR7 P34969 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL7913026 0.90 PDE4B (0.43) PDE4DHDAC4HDAC2HDAC8PDE4B
SCHEMBL15906118 0.85 ALDH1A1 (0.41) PDE4BFFAR1SIGMAR1HTR7RXFP1
SCHEMBL3805505 0.81 ALDH1A1 (0.44) PDE4DPDE4BSIGMAR1MAPT
SCHEMBL8064779 0.77 PDE4D (0.42) PDE4DHDAC4HDAC2HDAC8PDE4B
SCHEMBL8066667 0.77 PDE4D (0.42) PDE4DHDAC4HDAC2HDAC8PDE4B
SCHEMBL8066070 0.77 HTT (0.57) HDAC4HDAC2HDAC8LMNAHDAC3
SCHEMBL8056654 0.76 PDE4D (0.43) PDE4DHDAC4HDAC2HDAC8PDE4B
SCHEMBL8066487 0.76 PDE4D (0.41) PDE4DHDAC4HDAC2HDAC8PDE4B
SCHEMBL8066491 0.75 PDE4D (0.41) PDE4DHDAC4HDAC2HDAC8PDE4B
SCHEMBL8066867 0.75 PDE4B (0.46) PDE4DHDAC4HDAC2HDAC8PDE4B

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
WO-2010059838-A2 PDE4 INHIBITORS SELECTIVE FOR THE LONG FORM OF PDE4 FOR TREATING INFLAMMATION AND AVOIDING SIDE EFFECTS DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed
WO-2009067600-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2009-05-28 WO disclosed