SCHEMBL5208161

SCHEMBL5208161

O=CCc1ccc(NCc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.55
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
HTT P42858 2/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
RAB9A P51151 1/20 0.50
PPARA Q07869 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48

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
SCHEMBL3414513 0.85 BCHE (0.46) MAPTCA12CA1CA2EPHX2
SCHEMBL22815828 0.81 HDAC1 (0.54) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL11935860 0.81 HDAC1 (0.57) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL13232514 0.81 HDAC3 (0.57) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL13263643 0.81 MAPT (0.59) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL28166523 0.81 MAPT (0.63) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL23419003 0.79 EPHX2 (0.56) HTTMAPTMEN1KMT2ARAB9A
SCHEMBL2648713 0.78 HDAC1 (0.68) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4881358 0.78 HDAC1 (0.72) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5543662 0.78 HDAC1 (0.51) HDAC1HDAC3HDAC4HDAC7HDAC2

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-1819669-A2 NOVEL INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2007-08-22 EP disclosed
WO-2006063294-A2 NOVEL INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2006-06-15 WO disclosed