SCHEMBL29138542

SCHEMBL29138542

CCOC(=O)C=C(N)c1ccccc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
LMNA P02545 3/20 0.50
KMT2A Q03164 2/20 0.50
CTSD P07339 1/20 0.50
MEN1 O00255 1/20 0.50
PLIN1 O60240 1/20 0.50
POLB P06746 1/20 0.50
PLIN5 Q00G26 1/20 0.50
ABHD5 Q8WTS1 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.45
GAA P10253 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TSHR P16473 1/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
NPC1 O15118 3/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
RAB9A P51151 2/20 0.43

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
SCHEMBL6663445 0.84 CTSD (0.56) MAPTLMNACTSDGAATSHR
SCHEMBL6663448 0.84 CTSD (0.56) MAPTLMNACTSDGAATSHR
SCHEMBL29138535 0.84 MAPT (0.51) MAPTLMNAKMT2ACTSDMEN1
SCHEMBL30189346 0.83 TSHR (0.49) MAPTLMNAKMT2AMEN1POLB
SCHEMBL2667047 0.81 CTSD (0.54) MAPTLMNACTSDL3MBTL1GAA
SCHEMBL9380317 0.81 LMNA (0.54) MAPTLMNAKMT2AMEN1L3MBTL1
SCHEMBL30189370 0.81 LMNA (0.54) MAPTLMNAKMT2AMEN1L3MBTL1
SCHEMBL28417090 0.81 TSHR (0.46) MAPTLMNAKMT2AMEN1POLB
SCHEMBL9377212 0.81 KDM4E (0.48) MAPTLMNAKMT2AMEN1GAA
SCHEMBL9380315 0.81 LMNA (0.54) MAPTLMNAKMT2AMEN1L3MBTL1

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
CN-117069720-A 5-HT 2A Receptor agonist, preparation method and application thereof 上海翊石医药科技有限公司 2023-11-17 CN disclosed