SCHEMBL8565370

SCHEMBL8565370

C[C@@H](N)CCNCCCCOC(=O)NCNC(=O)CCCCCCNC=NN

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.36
ACHE P22303 12/20 0.32
HDAC3 O15379 2/20 0.31
HDAC4 P56524 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC7 Q8WUI4 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC10 Q969S8 2/20 0.31
HDAC11 Q96DB2 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
HDAC9 Q9UKV0 2/20 0.31
HDAC5 Q9UQL6 2/20 0.31
NOD1 Q9Y239 1/20 0.31

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
SCHEMBL8413512 0.86 PAOX (0.38) EPHX2ACHEHDAC3HDAC4HDAC1
SCHEMBL8412008 0.86 EPHX2 (0.37) EPHX2ACHE
SCHEMBL8565358 0.82 ACHE (0.36) EPHX2ACHEHDAC3HDAC4HDAC1
SCHEMBL8653255 0.81 HDAC3 (0.38) EPHX2HDAC3HDAC4HDAC1HDAC7
SCHEMBL8778905 0.80 FAAH (0.36) EPHX2ACHE
SCHEMBL8778931 0.80 FAAH (0.36) EPHX2ACHE
SCHEMBL8778919 0.80 FAAH (0.36) EPHX2ACHE
SCHEMBL8779144 0.78 HDAC3 (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL526030 0.78 HDAC3 (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8778900 0.78 HDAC3 (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2

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-0743300-B1 15-Deoxyspergualine-related compounds, process for their preparation and their application in therapy FOURNIER IND & SANTE (FR) 1999-08-04 EP disclosed
EP-0743300-A1 15-Deoxyspergualine-related compounds, process for their preparation and their application in therapy FOURNIER INDUSTRIE ET SANTE (FR) 1996-11-20 EP disclosed