SCHEMBL29136465

SCHEMBL29136465

COC(=O)c1cc(O)c(OCCc2ccccc2)c(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
HPGD P15428 1/20 0.61
L3MBTL1 Q9Y468 3/20 0.52
KMT2A Q03164 2/20 0.49
TPMT P51580 1/20 0.48
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALOX5 P09917 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CNR2 P34972 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL29136473 0.91 LMNA (0.74) LMNAHPGDL3MBTL1TDP1RAB9A
SCHEMBL20604717 0.88 SMN1; SMN2 (0.57) LMNAHPGDL3MBTL1KMT2AHTT
SCHEMBL18397048 0.87 HPGD (0.82) LMNAHPGDKMT2ATPMTSMN1; SMN2
SCHEMBL17844325 0.82 HPGD (0.57) LMNAHPGDL3MBTL1NPC1RAB9A
SCHEMBL17844306 0.82 NPC1 (0.59) LMNAHPGDKMT2AHTTSMN1; SMN2
SCHEMBL9142765 0.81 PDE4A (0.50) LMNAHPGDL3MBTL1KMT2AHTT
SCHEMBL24983425 0.80 HPGD (0.84) LMNAHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL30892445 0.80 HPGD (0.84) LMNAHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL5240840 0.80 HPGD (0.74) LMNAHPGDKMT2ASMN1; SMN2NPC1
SCHEMBL21738207 0.79 HPGD (0.77) LMNAHPGDKMT2ATPMTSMN1; SMN2

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-117362192-A PET radioactive tracer for imaging glycine transporter Glyt2 浙江颐核医疗科技有限公司 2024-01-09 CN disclosed