SCHEMBL6182390

SCHEMBL6182390

CCOC(=O)COc1cccc(C(=O)OCC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.58
PPARG P37231 1/20 0.58
HPGD P15428 2/20 0.56
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
GAA P10253 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HSD17B10 Q99714 2/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
MAPT P10636 3/20 0.51
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TP53 P04637 1/20 0.50
GLA P06280 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL26108247 0.89 PPARA (0.53) PPARAPPARGHPGDTDP1L3MBTL1
SCHEMBL18705336 0.88 ADRB2 (0.51) PPARAPPARGHPGDTDP1L3MBTL1
SCHEMBL4496546 0.88 LMNA (0.58) PPARAPPARGTDP1L3MBTL1KDM4E
SCHEMBL6816376 0.88 KMT2A (0.63) PPARAPPARGHPGDGAAKDM4E
SCHEMBL16837303 0.88 PPARA (0.52) PPARAPPARGHPGDTDP1L3MBTL1
SCHEMBL1989713 0.87 KMT2A (0.62) HPGDTDP1L3MBTL1KDM4EHSD17B10
SCHEMBL9863137 0.87 PPARA (0.67) PPARAPPARGHPGDTDP1L3MBTL1
SCHEMBL201991 0.87 PPARA (0.56) PPARAPPARGHPGDL3MBTL1GAA
SCHEMBL9448463 0.87 PPARA (0.56) PPARAPPARGHPGDL3MBTL1GAA
SCHEMBL31609701 0.87 PPARA (0.56) PPARAPPARGHPGDL3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1492537-A1 MORPHOLINE DERIVATIVES WITH A SUBSTITUTED ACETAMIDE GROUP IN THE 2-POSITION FOR USE AS CCR-3 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2005-01-05 EP disclosed
WO-2003082294-A1 MORPHOLINE DERIVATIVES WITH A SUBSTITUTED ACETAMIDE GROUP IN THE 2-POSITION FOR USE AS CCR-3 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-10-09 WO disclosed