SCHEMBL8653248

SCHEMBL8653248

C[C@@H](N)CCNCCCCNC(=O)CNC(=O)CCCCCCNC(=N)N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.41
HDAC4 P56524 4/20 0.41
HDAC1 Q13547 4/20 0.41
HDAC7 Q8WUI4 4/20 0.41
HDAC2 Q92769 4/20 0.41
HDAC10 Q969S8 4/20 0.41
HDAC11 Q96DB2 4/20 0.41
HDAC8 Q9BY41 4/20 0.41
HDAC6 Q9UBN7 4/20 0.41
HDAC9 Q9UKV0 4/20 0.41
HDAC5 Q9UQL6 4/20 0.41
SLC6A5 Q9Y345 2/20 0.38
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
EPHX2 P34913 2/20 0.36
NOD1 Q9Y239 1/20 0.36
GAA P10253 1/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
NPY4R P50391 1/20 0.35

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
SCHEMBL8653244 1.00 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8657504 1.00 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL524546 0.89 EPHX1 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15124102 0.89 EPHX1 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8778890 0.87 MEN1 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8779131 0.87 MEN1 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL526029 0.87 MEN1 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9689685 0.83 SLC6A5 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10641540 0.83 SLC6A5 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL524488 0.83 MEN1 (0.39) NPY1RNPY2RNPY4RNPY5R

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0755380-B1 15-DEOXYSPERGUALIN ANALOGS, THERAPEUTICAL USE THEREOF, AND METHOD FOR PREPARING SAME FOURNIER IND & SANTE (FR) 1998-10-14 EP disclosed
EP-0755380-A1 15-DEOXYSPERGUALIN ANALOGS, THERAPEUTICAL USE THEREOF, AND METHOD FOR PREPARING SAME FOURNIER INDUSTRIE ET SANTE (FR) 1997-01-29 EP disclosed
WO-1996024579-A1 15-DEOXYSPERGUALIN ANALOGS, THERAPEUTICAL USE THEREOF, AND METHOD FOR PREPARING SAME FOURNIER INDUSTRIE ET SANTE (FR) 1996-08-15 WO disclosed