SCHEMBL8562529

SCHEMBL8562529

CC(C)(C)OC(=O)CNC(=O)C1CNc2ccccc2O1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.65
HSD17B10 Q99714 1/20 0.47
EPHX2 P34913 1/20 0.43
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
ADAMTS5 Q9UNA0 1/20 0.38
POLB P06746 2/20 0.38
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HTT P42858 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
PTPRC P08575 1/20 0.37

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
SCHEMBL8564576 1.00 HPGD (0.65) HPGDHSD17B10EPHX2CYP1A2CYP3A4
SCHEMBL8562534 1.00 HPGD (0.65) HPGDHSD17B10EPHX2CYP1A2CYP3A4
SCHEMBL18593250 0.81 HPGD (0.54) HPGDHSD17B10EPHX2CYP1A2CYP3A4
SCHEMBL17432607 0.79 HPGD (1.00) HPGDHSD17B10CYP1A2CYP3A4CYP2C9
SCHEMBL8571139 0.79 HPGD (0.76) HPGDHSD17B10CYP1A2CYP3A4CYP2C9
SCHEMBL8571137 0.79 HPGD (0.76) HPGDHSD17B10CYP1A2CYP3A4CYP2C9
SCHEMBL4835296 0.78 HPGD (0.79) HPGDHSD17B10CYP1A2CYP3A4CYP2C9
SCHEMBL8568406 0.77 HPGD (0.86) HPGDHSD17B10CYP1A2CYP3A4CYP2C9
SCHEMBL8568399 0.77 HPGD (0.86) HPGDHSD17B10CYP1A2CYP3A4CYP2C9
SCHEMBL8568403 0.77 HPGD (0.86) HPGDHSD17B10CYP1A2CYP3A4CYP2C9

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-5719141-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-02-17 US disclosed