SCHEMBL28360617

SCHEMBL28360617

CCCN(NC)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 3/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA7 P43166 1/20 0.45
HDAC6 Q9UBN7 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
CA2 P00918 1/20 0.33
DGAT1 O75907 1/20 0.32
HDAC3 O15379 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
AKT1 P31749 1/20 0.32
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
CTSK P43235 1/20 0.31

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
SCHEMBL23685726 0.89 CA12 (0.39) CA14CA12CA1CA7HDAC6
SCHEMBL15669149 0.84 CA14 (0.36) CA14CA12CA1CA7HDAC6
Hydrochloric Acid SCHEMBL27875284 0.82 CA14 (0.35) CA14CA12CA1CA7HDAC6
SCHEMBL27421800 0.81 CA14 (0.42) CA14CA12CA1CA7HDAC6
SCHEMBL22619240 0.80 CA14 (0.41) CA14CA12CA1CA7HDAC6
SCHEMBL13271767 0.79 CA14 (0.35) CA14CA12CA1CA7TDP1
SCHEMBL20485975 0.78 TSHR (0.44) CA14CA12CA1CA7HDAC6
SCHEMBL11955130 0.77 NAAA (0.38) CTSK
SCHEMBL1950353 0.76 HDAC6 (0.35) CA14CA12CA1CA7HDAC6
SCHEMBL2608081 0.75 CA14 (0.49) CA14CA12CA1CA7HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118271203-A Lipid compounds for gene delivery and lipid nanoparticles comprising the same 南京星辰智曜生物医药科技有限公司 2024-07-02 CN disclosed
CN-118271204-A Lipid compounds for gene delivery and lipid nanoparticles comprising the same 南京星辰智曜生物医药科技有限公司 2024-07-02 CN disclosed
CN-117003744-A Five-membered and six-membered compound, intermediate, preparation method, composition and application 厦门市博瑞来医药科技有限公司 2023-11-07 CN disclosed
CN-110845474-B Target I-type PRMT compound and preparation method and application thereof 四川大学 2021-01-12 CN disclosed
CN-110845474-A Target I-type PRMT compound and preparation method and application thereof 四川大学 2020-02-28 CN disclosed