SCHEMBL20799996

SCHEMBL20799996

CC(C)(C)OC(=O)NCCC(O)c1nc(C(=O)O)cs1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC3 O15379 3/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC6 Q9UBN7 3/20 0.37
BCHE P06276 1/20 0.36
STK17B O94768 1/20 0.36
STK17A Q9UEE5 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MALT1 Q9UDY8 1/20 0.35
IDO1 P14902 1/20 0.35
PTPRB P23467 2/20 0.35
LATS1 O95835 1/20 0.34

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
SCHEMBL15947604 0.78 ABCB1 (0.50) ABCB1L3MBTL1PTPRB
SCHEMBL20800061 0.78 ABCB1 (0.50) ABCB1L3MBTL1PTPRB
SCHEMBL20800074 0.78 GBA1 (0.38) ABCB1L3MBTL1
SCHEMBL18764773 0.78 HDAC3 (0.43) MEN1GAAKMT2AHDAC3HDAC1
SCHEMBL6502917 0.77 L3MBTL1 (0.44) MEN1GAAKMT2ABCHESTK17B
SCHEMBL6492075 0.77 L3MBTL1 (0.44) MEN1GAAKMT2ABCHESTK17B
SCHEMBL7609410 0.77 L3MBTL1 (0.44) MEN1GAAKMT2ABCHESTK17B
SCHEMBL22154278 0.76 ABCB1 (0.52) ABCB1KMT2AL3MBTL1PTPRB
SCHEMBL14019980 0.76 ABCB1 (0.52) ABCB1KMT2AL3MBTL1PTPRB
SCHEMBL18764937 0.76 HDAC3 (0.46) MEN1GAAKMT2AHDAC3HDAC1

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-2019051322-A1 PROCESS FOR THE PREPARATION OF TUBULYSINS AND INTERMEDIATES THEREOF SEATTLE GENETICS, INC. (US) 2019-03-14 WO disclosed