SCHEMBL6624469

SCHEMBL6624469

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MIF P14174 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
APLNR P35414 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.36
RECQL P46063 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
AKT1 P31749 2/20 0.33

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
SCHEMBL24671067 0.73 POLB (0.53) GAANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL109822 0.73 GAA (0.48) GAANPC1RAB9ALMNAPOLB
SCHEMBL1477613 0.72 MIF (0.50) GAASMN1; SMN2MIFPOLBMEN1
SCHEMBL4490802 0.71
SCHEMBL284141 0.70 APLNR (0.55) GAANPC1RAB9AMIFLMNA
SCHEMBL3842089 0.69 SMN1; SMN2 (0.56) GAANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL5592829 0.69
SCHEMBL15498718 0.69 S1PR4 (0.51) GAARAB9ASMN1; SMN2LMNAPOLB
SCHEMBL17680509 0.68 POLB (0.53) GAANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL13605085 0.68 MAPT (0.63) GAARAB9ASMN1; SMN2POLBMEN1

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