SCHEMBL6566970

SCHEMBL6566970

CCOC(COCCNC(=O)c1ccccc1C(N)=O)(OCC)OCC

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
TSHR P16473 2/20 0.44
HPGD P15428 5/20 0.44
HCRTR1 O43613 2/20 0.44
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38

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
SCHEMBL6564878 0.85 HPGD (0.58) HTTTSHRHPGDHCRTR1MAPK1
SCHEMBL6564787 0.83 HPGD (0.56) HTTTSHRHPGDHCRTR1MAPK1
SCHEMBL6564965 0.83 HPGD (0.56) HTTTSHRHPGDHCRTR1MAPK1
SCHEMBL14802012 0.78 MAPK1 (0.63) HTTTSHRHPGDMAPK1ALDH1A1
SCHEMBL6565781 0.78 HTT (0.44) HTTTSHRHPGDHCRTR1MAPK1
SCHEMBL8653621 0.75 KDM4E (0.38) HTTTSHRHPGDALDH1A1KDM4E
SCHEMBL1063005 0.75 TSHR (0.66) HTTTSHRHPGDHCRTR1ALDH1A1
SCHEMBL6903284 0.74 TSHR (0.58) HTTTSHRHPGDHCRTR1ALDH1A1
SCHEMBL5702819 0.72 TSHR (0.83) HTTTSHRHPGDHCRTR1ALDH1A1
SCHEMBL6566957 0.71 TSHR (0.55) HTTTSHRHPGDHCRTR1ALDH1A1

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-0854177-B1 Ink compositions XEROX CORP (US) 2004-03-31 EP claimed
EP-0854177-B1 Ink compositions XEROX CORP (US) 2004-03-31 EP disclosed