SCHEMBL29136484

SCHEMBL29136484

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

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.63
LMNA P02545 1/20 0.63
GLRA1 P23415 1/20 0.59
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SMPD1 P17405 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
ADCYAP1R1 P41586 1/20 0.49
TPMT P51580 1/20 0.49
SLC6A5 Q9Y345 3/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.47
PTPN1 P18031 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
RXRA P19793 1/20 0.47

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
SCHEMBL10429197 0.92 GLRA1 (0.64) HPGDLMNAGLRA1NPC1RAB9A
SCHEMBL29136466 0.89 HPGD (0.66) HPGDLMNANPC1RAB9ASMN1; SMN2
SCHEMBL18397048 0.88 HPGD (0.82) HPGDLMNANPC1RAB9ASMN1; SMN2
SCHEMBL10323322 0.87 KDM4E (0.62) HPGDLMNAGLRA1NPC1RAB9A
SCHEMBL11345190 0.83 GLRA1 (0.60) HPGDLMNAGLRA1NPC1RAB9A
SCHEMBL10324062 0.83 GLRA1 (0.54) HPGDLMNAGLRA1NPC1RAB9A
SCHEMBL514495 0.82 GLRA1 (0.65) HPGDLMNAGLRA1NPC1RAB9A
SCHEMBL24983425 0.81 HPGD (0.84) HPGDLMNANPC1RAB9ASMN1; SMN2
SCHEMBL30892445 0.81 HPGD (0.84) HPGDLMNANPC1RAB9ASMN1; SMN2
SCHEMBL5240840 0.81 HPGD (0.74) HPGDLMNANPC1RAB9ASMN1; 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