SCHEMBL5188756

SCHEMBL5188756

CCC(=O)CCCCCC(NC(=O)Cn1ccnc1)C(=O)NC1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NMT2 O60551 5/20 0.44
NMT1 P30419 5/20 0.44
HDAC1 Q13547 5/20 0.43
HDAC4 P56524 4/20 0.43
HDAC6 Q9UBN7 2/20 0.41
TBXA2R P21731 4/20 0.39
HDAC3 O15379 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
GAA P10253 1/20 0.37
QPCT Q16769 1/20 0.37

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
SCHEMBL5125338 1.00 NMT2 (0.44) NMT2NMT1HDAC1HDAC4HDAC6
SCHEMBL5119081 0.85 CCR8 (0.45)
SCHEMBL5119033 0.79 SIGMAR1 (0.49) HDAC1HDAC4HDAC6HDAC3HDAC2
SCHEMBL5130543 0.78 HDAC1 (0.51) NMT2NMT1HDAC1HDAC4HDAC6
SCHEMBL5121815 0.77 HDAC1 (0.54) HDAC1HDAC4HDAC6HDAC3HDAC2
SCHEMBL5126694 0.77 HDAC1 (0.53) HDAC1HDAC4HDAC6HDAC3HDAC2
SCHEMBL5127798 0.76 HDAC1 (0.49) HDAC1HDAC4HDAC6HDAC3HDAC2
SCHEMBL5125570 0.76 HDAC1 (0.49) HDAC1HDAC4HDAC6HDAC3HDAC2
SCHEMBL12488447 0.76 HDAC1 (0.49) HDAC1HDAC4HDAC6HDAC3HDAC2
SCHEMBL5164015 0.75 HDAC1 (0.48) NMT2NMT1HDAC1HDAC4HDAC6

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-1768955-A1 AMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-04-04 EP disclosed
WO-2006005941-A1 AMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI S.P.A. (IT) 2006-01-19 WO disclosed