SCHEMBL9429930

SCHEMBL9429930

CCOC(=O)C1CCc2c(cc3ccccn23)C1O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
KDM4E B2RXH2 6/20 0.37
ALDH1A1 P00352 4/20 0.37
GLA P06280 2/20 0.37
GAA P10253 2/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RXFP1 Q9HBX9 2/20 0.36

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
SCHEMBL9430322 0.84 HTT (0.41) HTTATML3MBTL1MAPTPKM
SCHEMBL3150589 0.75 ATM (0.45) HTTATML3MBTL1PKMKDM4E
SCHEMBL8048116 0.75 TSHR (0.43) HTTMAPTPKMKDM4EALDH1A1
SCHEMBL7708841 0.75 TSHR (0.43) HTTMAPTPKMKDM4EALDH1A1
SCHEMBL8037300 0.75 TSHR (0.43) HTTMAPTPKMKDM4EALDH1A1
SCHEMBL8328348 0.73 ATM (0.45) HTTATML3MBTL1PKMKDM4E
SCHEMBL8055172 0.69 HSD17B1 (0.44) MAPTMAPK1MEN1KMT2A
SCHEMBL8047432 0.69 HSD17B1 (0.44) MAPTMAPK1MEN1KMT2A
SCHEMBL8055202 0.68 MEN1 (0.42) HTTMAPTKDM4EALDH1A1MAPK1
SCHEMBL8037341 0.68 ALDH1A1 (0.43) HTTKDM4EALDH1A1

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
US-5374727-A Using rhodium-diphosphine complex as hydrogenation catalyst HOFFMANN-LA ROCHE INC. (US) 1994-12-20 US disclosed