SCHEMBL29138535

SCHEMBL29138535

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
LMNA P02545 4/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
PLIN1 O60240 1/20 0.51
POLB P06746 1/20 0.51
PLIN5 Q00G26 1/20 0.51
ABHD5 Q8WTS1 1/20 0.51
CTSD P07339 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
GAA P10253 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TSHR P16473 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CYP19A1 P11511 1/20 0.44
NPC1 O15118 3/20 0.44
ABCG2 Q9UNQ0 1/20 0.44

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
SCHEMBL17755042 0.84 CTSD (0.53) MAPTLMNACTSDGAATSHR
SCHEMBL29138542 0.84 MAPT (0.50) MAPTLMNAKMT2AMEN1PLIN1
SCHEMBL14372527 0.82 TSHR (0.54) MAPTLMNAKMT2AMEN1PLIN1
SCHEMBL29138521 0.82 MAPT (0.46) MAPTLMNAKMT2AMEN1PLIN1
SCHEMBL11254735 0.81 MAPT (0.50) MAPTKMT2AMEN1POLBGAA
SCHEMBL11254743 0.81 MAPT (0.50) MAPTKMT2AMEN1POLBGAA
SCHEMBL21457686 0.80 NPC1 (0.49) MAPTLMNAKMT2AMEN1PLIN1
SCHEMBL4146557 0.80 TSHR (0.47) MAPTLMNAKMT2AMEN1POLB
SCHEMBL9510890 0.80 TSHR (0.47) MAPTLMNAKMT2AMEN1POLB
SCHEMBL17169101 0.80 KDM4E (0.49) MAPTLMNAKMT2AMEN1POLB

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