SCHEMBL28799343

SCHEMBL28799343

CC(C)(C)OC(=O)NCCCCC(NC(=O)OC(C)(C)C)C(=O)[C@@H]1CC(=O)NC1=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.44
ATM Q13315 2/20 0.44
POLB P06746 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
GAA P10253 1/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC8 Q9BY41 1/20 0.42
CXCR3 P49682 1/20 0.41
MAPT P10636 1/20 0.41
KLK7 P49862 1/20 0.41
KLK5 Q9Y337 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC6 Q9UBN7 1/20 0.39
ACE P12821 1/20 0.39

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
SCHEMBL14609262 0.83 CTSK (0.44) MEN1KMT2AGAAHDAC1MAPT
Succinimide SCHEMBL6522318 0.79 MEN1 (0.51) TDP1ATMPOLBMEN1KMT2A
SCHEMBL30496008 0.78 MEN1 (0.42) TDP1ATMPOLBMEN1KMT2A
SCHEMBL28499087 0.76 EPHX2 (0.39) KMT2AGAAMAPTCA1CA2
SCHEMBL12386368 0.75 HDAC1 (0.47) TDP1ATMPOLBMEN1KMT2A
SCHEMBL3445777 0.74 MEN1 (0.65) TDP1ATMPOLBMEN1KMT2A
SCHEMBL10241524 0.74 MEN1 (0.65) TDP1ATMPOLBMEN1KMT2A
SCHEMBL16790735 0.74 MEN1 (0.56) TDP1ATMPOLBMEN1KMT2A
SCHEMBL391537 0.74 MEN1 (0.65) TDP1ATMPOLBMEN1KMT2A
SCHEMBL31758256 0.74 TDP1 (0.61) TDP1ATMPOLBMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805477-B Synthesis method of L-lysyl-L-tyrosine 武汉桀升生物科技有限公司 2023-07-18 CN claimed
CN-114805477-A Method for synthesizing L-lysyl-L-tyrosine 武汉桀升生物科技有限公司 2022-07-29 CN claimed
CN-114805477-B Synthesis method of L-lysyl-L-tyrosine 武汉桀升生物科技有限公司 2023-07-18 CN disclosed
CN-114805477-A Method for synthesizing L-lysyl-L-tyrosine 武汉桀升生物科技有限公司 2022-07-29 CN disclosed