SCHEMBL8067375

SCHEMBL8067375

CCOc1ccc(Cc2ccc(NO)cc2)c(F)c1-c1cccc(C(C)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CREBBP Q92793 6/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAOB P27338 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
FFAR1 O14842 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
RORC P51449 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
SCHEMBL8067401 0.90 ALDH1A1 (0.42) ALDH1A1MAPTPOLBKMT2AMEN1
SCHEMBL4323623 0.90 PDE4D (0.43) HDAC1HDAC8HDAC6CREBBPALDH1A1
SCHEMBL15906194 0.89 MAOB (0.45) HDAC1HDAC8HDAC6CREBBPALDH1A1
SCHEMBL4332990 0.88 CREBBP (0.44) HDAC1HDAC8HDAC6CREBBPALDH1A1
SCHEMBL13578678 0.85 POLB (0.39) HDAC1HDAC8HDAC6CREBBPALDH1A1
SCHEMBL8056046 0.85 ALDH1A1 (0.38) CREBBPALDH1A1MAPTKMT2AMEN1
SCHEMBL4326698 0.85 MAOB (0.49) ALDH1A1MAPTPOLBKMT2AMEN1
SCHEMBL16158632 0.85 CREBBP (0.37) HDAC1HDAC8HDAC6CREBBPALDH1A1
SCHEMBL7916951 0.83 ALDH1A1 (0.42) ALDH1A1MAPTPOLBKMT2AMEN1
Hydrochloric Acid SCHEMBL10318481 0.82 ALDH1A1 (0.42) ALDH1A1MAPTPOLBKMT2AMEN1

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
WO-2009067600-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2009-05-28 WO disclosed