SCHEMBL20054513

SCHEMBL20054513

CC(C)(C)OC(=O)NC(c1ncc(-c2ccc(-c3cc4ccc(B5OC(C)(C)C(C)(C)O5)cc4o3)cc2)[nH]1)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
AAK1 Q2M2I8 3/20 0.38
NR1I2 O75469 1/20 0.37
SSTR3 P32745 1/20 0.37
USP30 Q70CQ3 2/20 0.34
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
DGAT1 O75907 1/20 0.33
APP P05067 3/20 0.31
BCHE P06276 1/20 0.31
CNR2 P34972 1/20 0.31
BACE1 P56817 1/20 0.30
BACE2 Q9Y5Z0 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL15116590 1.00 PRMT5 (0.38) PRMT5WDR77AAK1NR1I2SSTR3
SCHEMBL15116835 0.89 NR1I2 (0.43) AAK1NR1I2SSTR3KDM4EGLA
SCHEMBL20054411 0.88 AAK1 (0.42) PRMT5WDR77AAK1SSTR3USP30
SCHEMBL15116600 0.88 AAK1 (0.42) PRMT5WDR77AAK1SSTR3USP30
SCHEMBL15116836 0.85 SSTR3 (0.40) AAK1NR1I2SSTR3KDM4EGLA
SCHEMBL20054535 0.85 SSTR3 (0.40) AAK1NR1I2SSTR3KDM4EGLA
SCHEMBL15114363 0.85 NR1I2 (0.42) AAK1NR1I2SSTR3KDM4EGLA
SCHEMBL15114362 0.81 LPL (0.34) NR1I2APPHDAC6
SCHEMBL15105782 0.79 AAK1 (0.46) PRMT5WDR77AAK1NR1I2SSTR3
SCHEMBL15105781 0.79 AAK1 (0.46) PRMT5WDR77AAK1NR1I2SSTR3

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-2802326-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-18 EP disclosed