SCHEMBL6624467

SCHEMBL6624467

CC(C)(C)OC(=O)N(N)C(=O)c1cc[c]o1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
NCOR2 Q9Y618 1/20 0.30

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
SCHEMBL4514786 0.70 ALDH1A1 (0.43) SMN1; SMN2HDAC3HDAC1HDAC2NCOR2
SCHEMBL5737167 0.69 MAPT (0.42) NPC1SMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL1706932 0.69 HDAC6 (0.38) SMN1; SMN2HDAC1HDAC2
SCHEMBL6529111 0.69 GPR119 (0.46) SMN1; SMN2HDAC3HDAC1HDAC2NCOR2
SCHEMBL6501523 0.69 DAO (0.40) HDAC3HDAC1
SCHEMBL6624469 0.69 GAA (0.40) NPC1RAB9ASMN1; SMN2
SCHEMBL1401073 0.67 PARP1 (0.46) NPC1RAB9ASMN1; SMN2
SCHEMBL7362268 0.67 HPGD (0.44) NPC1RAB9ASMN1; SMN2HDAC3HDAC1
SCHEMBL5908845 0.66 POLB (0.46)
SCHEMBL25436784 0.65 AAK1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487827-A1 ANTI-INFLAMMATORY MORPHOLIN-ACETAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2004-12-22 EP claimed
WO-2003082862-A1 ANTI-INFLAMMATORY MORPHOLIN-ACETAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-10-09 WO claimed
EP-1487827-A1 ANTI-INFLAMMATORY MORPHOLIN-ACETAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2004-12-22 EP disclosed
WO-2003082862-A1 ANTI-INFLAMMATORY MORPHOLIN-ACETAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-10-09 WO disclosed