SCHEMBL7275871

SCHEMBL7275871

O=C(CN(C(=O)[C@H]1CCCC[C@@H]1C(=O)O)c1ccccc1)NO

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HTT P42858 1/20 0.43
TAAR1 Q96RJ0 3/20 0.43
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL7266946 1.00 HDAC1 (0.45) HDAC1HDAC6HTTTAAR1LMNA
SCHEMBL7266949 1.00 HDAC1 (0.45) HDAC1HDAC6HTTTAAR1LMNA
SCHEMBL7267858 1.00 HDAC1 (0.45) HDAC1HDAC6HTTTAAR1LMNA
SCHEMBL7267865 1.00 HDAC1 (0.45) HDAC1HDAC6HTTTAAR1LMNA
SCHEMBL7267962 0.83 KDM4E (0.44) HTTTAAR1LMNARAB9AGAA
SCHEMBL7267957 0.83 KDM4E (0.44) HTTTAAR1LMNARAB9AGAA
SCHEMBL7267955 0.83 KDM4E (0.44) HTTTAAR1LMNARAB9AGAA
Bicarbonate SCHEMBL7274222 0.82 HTT (0.55) HDAC1HDAC6HTTLMNARAB9A
SCHEMBL9682555 0.79 HTT (0.46) HTTTAAR1LMNARAB9AGAA
SCHEMBL9682559 0.79 HTT (0.46) HTTTAAR1LMNARAB9AGAA

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-0337348-B1 Amides of cyclomethylen-1,2-bicarboxylic acids having therapeutical activity, processes for their preparation and pharmaceutical compositions containing them GUIDOTTI & C SPA LABOR (IT) 1994-02-02 EP claimed