SCHEMBL5221844

SCHEMBL5221844

CCOC(=O)c1cc(N2CCCC2=O)c2[nH]cc(C)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.43
PKM P14618 1/20 0.43
MAPT P10636 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALOX5 P09917 1/20 0.40
ALOX15 P16050 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CTSD P07339 1/20 0.40
BACE1 P56817 1/20 0.40
BACE2 Q9Y5Z0 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CYP2C9 P11712 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
CASP6 P55212 1/20 0.39

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
SCHEMBL5222278 0.90 CTSD (0.48) HSD17B10PKMMAPTL3MBTL1KDM4E
SCHEMBL5222117 0.88 CTSD (0.42) HSD17B10PKMMAPTL3MBTL1KDM4E
SCHEMBL5219361 0.87 GAA (0.44) HSD17B10SMN1; SMN2CTSDBACE1BACE2
SCHEMBL5221500 0.87 CTSD (0.46) HSD17B10PKMMAPTL3MBTL1KDM4E
SCHEMBL5221504 0.78 CTSD (0.51) HSD17B10CTSDBACE1BACE2MEN1
SCHEMBL5221970 0.76 CTSD (0.49) HSD17B10CTSDBACE1BACE2MEN1
SCHEMBL5219479 0.76 CA12 (0.45) HSD17B10MAPTL3MBTL1KDM4EALOX15
SCHEMBL5220175 0.75 CTSD (0.48) HSD17B10PKMMAPTL3MBTL1KDM4E
SCHEMBL5220565 0.74 CTSD (0.42) HSD17B10L3MBTL1KDM4ESMN1; SMN2CTSD
SCHEMBL25351074 0.73 HSD17B10 (0.44) HSD17B10PKMMAPTL3MBTL1KDM4E

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-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed