SCHEMBL5164015

SCHEMBL5164015

CCC(=O)CCCCC[C@H](NC(=O)C[S+](C)[O-])C(=O)NC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.48
HDAC4 P56524 4/20 0.48
HDAC6 Q9UBN7 5/20 0.46
HDAC3 O15379 4/20 0.46
HDAC2 Q92769 4/20 0.46
HDAC10 Q969S8 4/20 0.46
HDAC11 Q96DB2 4/20 0.46
HDAC8 Q9BY41 4/20 0.46
NCOR2 Q9Y618 2/20 0.46
CPB2 Q96IY4 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NMT1 P30419 2/20 0.34
NMT2 O60551 1/20 0.34

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
SCHEMBL5130543 0.83 HDAC1 (0.51) HDAC1HDAC4HDAC6HDAC3HDAC2
SCHEMBL5121815 0.83 HDAC1 (0.54) HDAC1HDAC4HDAC6HDAC3HDAC2
SCHEMBL5126694 0.82 HDAC1 (0.53) HDAC1HDAC4HDAC6HDAC3HDAC2
SCHEMBL5165517 0.82 CCR8 (0.46) SMN1; SMN2
SCHEMBL5127798 0.81 HDAC1 (0.49) HDAC1HDAC4HDAC6HDAC3HDAC2
SCHEMBL5125570 0.81 HDAC1 (0.49) HDAC1HDAC4HDAC6HDAC3HDAC2
SCHEMBL12488447 0.81 HDAC1 (0.49) HDAC1HDAC4HDAC6HDAC3HDAC2
SCHEMBL5119033 0.78 SIGMAR1 (0.49) HDAC1HDAC4HDAC6HDAC3HDAC2
SCHEMBL5127154 0.78 EPHX2 (0.51) HDAC1HDAC4HDAC6HDAC3HDAC2
SCHEMBL5130652 0.76 EPHX2 (0.46) HDAC1HDAC4HDAC6HDAC3HDAC2

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