SCHEMBL7271123

SCHEMBL7271123

CN[C@H](C(=O)O)C(O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.48
F10 P00742 4/20 0.48
PRSS1 P07477 4/20 0.48
F7 P08709 4/20 0.48
PRSS2 P07478 2/20 0.48
F3 P13726 2/20 0.48
PRSS3 P35030 2/20 0.48
SMPD1 P17405 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
KDM4E B2RXH2 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 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
SCHEMBL7270994 0.90 F2 (0.48) F2F10PRSS1F7PRSS2
SCHEMBL10600559 0.88 F2 (0.47) F2F10PRSS1F7PRSS2
SCHEMBL9813732 0.88 F2 (0.47) F2F10PRSS1F7PRSS2
SCHEMBL10784225 0.88 F2 (0.47) F2F10PRSS1F7PRSS2
SCHEMBL7278686 0.86 CD274 (0.48) F2F10PRSS1F7PRSS2
SCHEMBL10866599 0.85 F2 (0.45) F2F10PRSS1F7PRSS2
SCHEMBL10783267 0.84 NPSR1 (0.53) F2F10PRSS1F7PRSS2
SCHEMBL10778740 0.84 F2 (0.44) F2F10PRSS1F7PRSS2
SCHEMBL7311447 0.84 CTSL (0.46) F2F10PRSS1F7PRSS2
SCHEMBL10346671 0.84 NPSR1 (0.53) F2F10PRSS1F7PRSS2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0112606-A1 Threo-adrenalinecarboxylic acid, processes for the production thereof, and pharmaceutical compositions thereof ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1984-07-04 EP claimed
JP-59199660-A None JP disclosed
US-4833268-A PARKINSON*S DISEASE, ANTIDEPRESSANTS ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1989-05-23 US disclosed
JP-S59199660-A L-ERYTHRO-ADRENALIC ACID MICROBIAL CHEM RES FOUND 1984-11-12 JP disclosed
EP-0112606-A1 Threo-adrenalinecarboxylic acid, processes for the production thereof, and pharmaceutical compositions thereof ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1984-07-04 EP disclosed