SCHEMBL7017994

SCHEMBL7017994

NC(=O)C(O)=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.68
HDAC3 O15379 5/20 0.68
HDAC4 P56524 5/20 0.68
HDAC7 Q8WUI4 5/20 0.68
HDAC2 Q92769 5/20 0.68
HDAC10 Q969S8 5/20 0.68
HDAC11 Q96DB2 5/20 0.68
HDAC8 Q9BY41 5/20 0.68
HDAC6 Q9UBN7 5/20 0.68
HDAC9 Q9UKV0 5/20 0.68
HDAC5 Q9UQL6 5/20 0.68
KCNH2 Q12809 4/20 0.68
CYP3A4 P08684 1/20 0.68
TRPM8 Q7Z2W7 1/20 0.58
TRPV1 Q8NER1 1/20 0.58
NAMPT P43490 2/20 0.53
HTR1A P08908 2/20 0.47
ADRA2A P08913 2/20 0.47
ADRA2B P18089 2/20 0.47
ADRA2C P18825 2/20 0.47

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
SCHEMBL4543135 1.00 HDAC1 (0.68) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL16415797 1.00 HDAC1 (0.68) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL27995437 0.85 HDAC1 (0.73) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL6924357 0.83 HDAC1 (0.51) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL6932806 0.83 HDAC1 (0.62) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL16415798 0.83 HDAC1 (0.62) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL21827790 0.83 HDAC1 (0.62) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL19242460 0.82 HDAC1 (0.80) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL14703193 0.82 HDAC1 (0.66) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL14703149 0.82 HDAC1 (0.66) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1318980-A2 HYDROXAMATE DERIVATIVES USEFUL AS DEACETYLASE INHIBITORS Novartis AG (CH) 2003-06-18 EP claimed
WO-2002022577-A2 HYDROXAMATE DERIVATIVES USEFUL AS DEACETYLASE INHIBITORS NOVARTIS AG (CH) 2002-03-21 WO claimed
WO-2024192517-A1 METHODS FOR ENHANCED GENE EXPRESSION IN MICROORGANISMS ALGAE-C INC. (CA) 2024-09-26 WO disclosed
EP-3024926-A1 GENERATING DEFINITIVE ENDODERM AND PANCREATIC PROGENITOR CELLS The J. David Gladstone Institutes, A Testamentary Trust Established under The Will of J. David Gladstone (US) 2016-06-01 EP disclosed
WO-2015013653-A1 GENERATING DEFINITIVE ENDODERM AND PANCREATIC PROGENITOR CELLS THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2015-01-29 WO disclosed