SCHEMBL28008178

SCHEMBL28008178

CC(C)(C)OC(=O)C(N)C(CC(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP2D6 P10635 2/20 0.47
MEN1 O00255 1/20 0.47
CYP2C9 P11712 1/20 0.47
GABBR2 O75899 1/20 0.41
GABBR1 Q9UBS5 1/20 0.41
MAPT P10636 1/20 0.41
AAK1 Q2M2I8 1/20 0.41
SLC7A5 Q01650 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
LTA4H P09960 1/20 0.37
KCNA5 P22460 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
SCHEMBL8011431 0.81 MAPT (0.45) CYP2C19KMT2AMEN1GABBR2GABBR1
SCHEMBL27663392 0.81 MAPT (0.45) CYP2C19KMT2AMEN1GABBR2GABBR1
SCHEMBL27773550 0.81 GABBR2 (0.42) CYP2C19KMT2ACYP2D6GABBR2GABBR1
SCHEMBL1624875 0.80 DPP4 (0.48) KMT2ACYP2D6MEN1MAPTAAK1
SCHEMBL28008180 0.79 MEN1 (0.47) CYP2C19KMT2ACYP2D6MEN1CYP2C9
SCHEMBL497730 0.77 CYP2C19 (0.72) CYP2C19KMT2ACYP2D6MEN1CYP2C9
SCHEMBL497729 0.77 CYP2C19 (0.72) CYP2C19KMT2ACYP2D6MEN1CYP2C9
SCHEMBL1919826 0.77 CYP2D6 (0.50) CYP2C19KMT2ACYP2D6MEN1CYP2C9
SCHEMBL10683915 0.77 MMP8 (0.39) KMT2ACYP2D6AAK1SLC7A5CTSS
SCHEMBL28750863 0.77 AAK1 (0.39) KMT2ACYP2D6MEN1MAPTAAK1

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
CN-104662015-B Complement pathway modulators and uses thereof 诺华股份有限公司 2017-03-29 CN disclosed
CN-104662015-A Complement pathway modulators and uses thereof NOVARTIS AG 2015-05-27 CN disclosed