SCHEMBL724265

SCHEMBL724265

COC(=O)C=Cc1ccc(CN2CCN(C(=O)O)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
GPR183 P32249 8/20 0.54
FAAH O00519 1/20 0.53
ACHE P22303 3/20 0.51
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
TYR P14679 1/20 0.49

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
SCHEMBL724264 1.00 MEN1 (0.54) MEN1KMT2AGPR183FAAHACHE
SCHEMBL1486971 0.84 GPR183 (0.52) MEN1KMT2AGPR183FAAHACHE
SCHEMBL1486969 0.84 GPR183 (0.52) MEN1KMT2AGPR183FAAHACHE
SCHEMBL723187 0.84 CA12 (0.51) MEN1KMT2AGPR183HDAC3HDAC4
SCHEMBL723186 0.84 CA12 (0.51) MEN1KMT2AGPR183HDAC3HDAC4
SCHEMBL724438 0.84 HDAC1 (0.65) MEN1KMT2AGPR183FAAHHDAC3
SCHEMBL18841330 0.83 CA12 (0.50) MEN1KMT2AGPR183ACHEHDAC3
SCHEMBL2232758 0.82 FAAH (0.50) MEN1KMT2AGPR183FAAHACHE
SCHEMBL2232762 0.82 FAAH (0.50) MEN1KMT2AGPR183FAAHACHE
SCHEMBL18841352 0.81 BCHE (0.49) ACHEHDAC3HDAC4HDAC1HDAC7

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
WO-2012025155-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2012-03-01 WO disclosed