SCHEMBL9681592

SCHEMBL9681592

C#CCOCCCCCCCCCC(=O)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.54
ITGB3 P05106 3/20 0.53
ITGA2B P08514 3/20 0.53
EPHX2 P34913 3/20 0.52
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
CTSG P08311 1/20 0.48
CMA1 P23946 1/20 0.48
ACE P12821 1/20 0.48

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
SCHEMBL9681588 1.00 FAAH (0.54) FAAHITGB3ITGA2BEPHX2HDAC3
SCHEMBL21541233 0.86 HDAC1 (0.57) HDAC1HDAC6
SCHEMBL30831414 0.84 FAAH (0.56) FAAHITGB3ITGA2BEPHX2CTSG
SCHEMBL8750017 0.83 FAAH (0.70) FAAHEPHX2HDAC3HDAC4HDAC1
SCHEMBL9220936 0.83 FAAH (0.65) FAAHITGB3ITGA2BEPHX2HDAC3
SCHEMBL9220945 0.83 FAAH (0.65) FAAHITGB3ITGA2BEPHX2HDAC3
SCHEMBL30737274 0.83 GPR34 (0.47) ITGB3ITGA2BACE
SCHEMBL9223275 0.82 FAAH (0.57) FAAHITGB3ITGA2BEPHX2HDAC3
SCHEMBL2806565 0.82 FAAH (0.67) FAAHEPHX2HDAC3HDAC4HDAC1
SCHEMBL2806570 0.82 FAAH (0.67) FAAHEPHX2HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0499521-A1 Inhibitors of N-myristoyltransferase, their preparation process and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-08-19 EP disclosed