SCHEMBL30488374

SCHEMBL30488374

CC(C)OC(=O)CCOC(=O)n1ccc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.47
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
TSHR P16473 3/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.37
PTPN1 P18031 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL4176419 0.82 NOTUM (0.59) NOTUMHTR3EHTR3BCHRNB2CHRNA7
SCHEMBL7169526 0.79 NOTUM (0.56) NOTUMHTR3EHTR3BCHRNB2CHRNA7
SCHEMBL25433608 0.79 NOTUM (0.49) NOTUMHTR3EHTR3BCHRNB2CHRNA7
SCHEMBL30109103 0.77 NOTUM (0.61) NOTUMHTR3EHTR3BCHRNB2CHRNA7
SCHEMBL600415 0.77 NOTUM (0.61) NOTUMHTR3EHTR3BCHRNB2CHRNA7
SCHEMBL5635573 0.77 NOTUM (0.53) NOTUMHTR3EHTR3BCHRNB2CHRNA7
Hydrochloric Acid SCHEMBL7492690 0.75 NOTUM (0.57) NOTUMHTR3EHTR3BCHRNB2CHRNA7
Hydrochloric Acid SCHEMBL7492685 0.75 NOTUM (0.57) NOTUMHTR3EHTR3BCHRNB2CHRNA7
SCHEMBL7162470 0.74 RAB9A (0.50) NOTUMHTR3EHTR3BCHRNB2CHRNA7
SCHEMBL30546903 0.74 NOTUM (0.49) NOTUMHTR3EHTR3BCHRNB2CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4448538-A1 PYRIDOXAL-5-PHOSPHATE (P5P) ANALOGS Canam Bioresearch Inc. (CA) 2024-10-23 EP disclosed
WO-2023108286-A1 PYRIDOXAL-5-PHOSPHATE (P5P) ANALOGS CANAM BIORESEARCH INC. (CA) 2023-06-22 WO disclosed