SCHEMBL29136466

SCHEMBL29136466

COc1cc(C(=O)O)cc(O)c1OCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.66
LMNA P02545 1/20 0.66
TPMT P51580 1/20 0.63
RXRA P19793 1/20 0.56
MRGPRX4 Q96LA9 2/20 0.56
PTGS2 P35354 1/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
SMPD1 P17405 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
POLB P06746 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SLC6A5 Q9Y345 1/20 0.50

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
SCHEMBL2317454 0.91 RXRA (0.61) HPGDLMNARXRAMRGPRX4MEN1
SCHEMBL18397048 0.90 HPGD (0.82) HPGDLMNATPMTMEN1KMT2A
Hydrochloric Acid SCHEMBL16143333 0.90 RXRA (0.60) HPGDLMNARXRAMRGPRX4MEN1
SCHEMBL29136484 0.89 HPGD (0.63) HPGDLMNATPMTRXRAMRGPRX4
SCHEMBL15673277 0.89 RXRA (0.62) HPGDRXRAMRGPRX4MEN1KMT2A
SCHEMBL9052394 0.87 LMNA (0.74) HPGDLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL7168025 0.86 RXRA (0.62) HPGDTPMTRXRAMRGPRX4MEN1
SCHEMBL30102546 0.86 RXRA (0.62) HPGDTPMTRXRAMRGPRX4MEN1
SCHEMBL2291970 0.85 MRGPRX4 (0.57) HPGDLMNARXRAMRGPRX4MEN1
SCHEMBL10323084 0.85 KDM4E (0.64) HPGDRXRAMRGPRX4MEN1KMT2A

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