SCHEMBL8074667

SCHEMBL8074667

C/C(=C\C(C)(C)CNC(=O)OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)c1cc(-c2ccc3ccccc3c2)[nH]n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.42
NTSR1 P30989 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CTSB P07858 2/20 0.37
CTSS P25774 2/20 0.37
CTSL P07711 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 4/20 0.36
POLB P06746 3/20 0.36
MAPK1 P28482 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
GPR55 Q9Y2T6 1/20 0.36
MEN1 O00255 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
CTSK P43235 1/20 0.36
CASP1 P29466 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL2627371 0.65 SYK (0.74) SYKCTSBCTSSCTSLMAPT
SCHEMBL6312582 0.65 SYK (0.74) SYKCTSBCTSSCTSLMAPT
SCHEMBL6312567 0.65 SYK (0.74) SYKCTSBCTSSCTSLMAPT
SCHEMBL30460045 0.64 SYK (0.72) SYKCTSBCTSSCTSLCTSK
SCHEMBL7433848 0.64 SYK (0.56) SYKNTSR1L3MBTL1CTSBCTSS
Acetone SCHEMBL7365925 0.63 CTSB (0.53) SYKCTSBCTSSCTSLCTSK
SCHEMBL10347229 0.63 SYK (0.58) SYKNTSR1L3MBTL1CTSBCTSS
SCHEMBL5557488 0.63 CTSS (0.52) SYKCTSBCTSSCTSLLMNA
SCHEMBL2725000 0.63 SYK (0.71) SYKCTSBCTSSCTSLMAPT
SCHEMBL2723154 0.63 SYK (0.71) SYKCTSBCTSSCTSLMAPT

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-2009026701-A1 SIRTUIN INHIBITORS METHYLGENE INC. (CA) 2009-03-05 WO disclosed