SCHEMBL20558282

SCHEMBL20558282

CC(O)C1(C2CCN(C(=O)OC(C)(C)C)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.48
RECQL P46063 1/20 0.46
EPHX1 P07099 1/20 0.46
MAPT P10636 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 2/20 0.45
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GPR119 Q8TDV5 4/20 0.43
KDM4E B2RXH2 1/20 0.42
THRB P10828 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42
EPHX2 P34913 1/20 0.41
ATM Q13315 1/20 0.40

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
SCHEMBL20558183 0.83 ALDH1A1 (0.46) HPGDEPHX1MAPTALDH1A1HTT
SCHEMBL23249884 0.78 HPGD (0.53) HPGDRECQLEPHX1MAPTALDH1A1
SCHEMBL30853137 0.77 HPGD (0.51) HPGDRECQLEPHX1MAPTALDH1A1
SCHEMBL6513261 0.77 EPHX1 (0.47) HPGDRECQLEPHX1MAPTALDH1A1
SCHEMBL4523020 0.76 HPGD (0.54) HPGDRECQLEPHX1MAPTALDH1A1
SCHEMBL470530 0.76 HPGD (0.54) HPGDRECQLEPHX1MAPTALDH1A1
SCHEMBL387237 0.76 HPGD (0.54) HPGDRECQLEPHX1MAPTALDH1A1
SCHEMBL27478370 0.76 HPGD (0.54) HPGDRECQLEPHX1MAPTALDH1A1
SCHEMBL27552072 0.76 USP2 (0.50) HPGDRECQLEPHX1MAPTALDH1A1
SCHEMBL20558289 0.76 HPGD (0.45) HPGDRECQLEPHX1MAPTALDH1A1

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
WO-2018205948-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-11-15 WO disclosed