SCHEMBL28532159

SCHEMBL28532159

C=C(C)C(=O)OCCNC(=O)OCCNc1ccc(C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 2/20 0.41
MAPT P10636 1/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CTSK P43235 1/20 0.39
HTT P42858 4/20 0.37
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.36
DHODH Q02127 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTPN1 P18031 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL13482697 0.92 MAPT (0.48) PKMTSHRMAPTCA1CA2
SCHEMBL13567313 0.84 KMT2A (0.43) PKML3MBTL1CA1CA2LMNA
SCHEMBL13854689 0.83 NPC1 (0.50) L3MBTL1MAPTHTTSMN1; SMN2NPC1
SCHEMBL3246106 0.81 GAA (0.54) PKML3MBTL1MAPTCA1CA2
SCHEMBL13310463 0.81 LMNA (0.44) PKMCA1CA2HTTLMNA
SCHEMBL2403793 0.80 THRB (0.53) L3MBTL1TSHRTHRB
SCHEMBL13872030 0.80 THRB (0.53) L3MBTL1TSHRTHRB
SCHEMBL24439441 0.79 PKM (0.53) PKML3MBTL1TSHRCA1CA2
SCHEMBL2557575 0.79 L3MBTL1 (0.45) L3MBTL1TSHRMAPTCTSKHTT
SCHEMBL305728 0.79 POLB (0.44) TSHRMAPTHTTSMN1; SMN2GAA

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-122056781-A Two-part dental sealant, method of administration with a syringe device, and kit 舒万诺知识产权公司 2026-05-19 CN disclosed
CN-112566585-B Hardenable dental compositions comprising alkaline core material encapsulated in an inorganic shell and dispensing devices therefor 3M创新有限公司 2022-07-12 CN disclosed
CN-112566585-A Hardenable dental compositions comprising alkaline core material encapsulated in an inorganic shell and dispensing devices therefor 3M创新有限公司 2021-03-26 CN disclosed
CN-112437644-A Two-part dental sealant, method of administration with a syringe device, and kit 3M创新有限公司 2021-03-02 CN disclosed