Glycoursodeoxycholic Acid

Glycoursodeoxycholic Acid

SCHEMBL9151495

C[C@H](CCC(=O)NCC(=O)O)[C@H]1CCC2C3C(CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 11/20 1.00
NR1H4 Q96RI1 6/20 1.00
ABCB11 O95342 5/20 1.00
ENPP2 Q13822 3/20 1.00
SLC10A2 Q12908 4/20 0.80
KMT2A Q03164 3/20 0.80
MEN1 O00255 2/20 0.80
LMNA P02545 1/20 0.80
CYP2C19 P33261 1/20 0.80
CHRM2 P08172 1/20 0.80
ADRA2A P08913 1/20 0.80
ADRA1A P35348 1/20 0.80
TDP1 Q9NUW8 1/20 0.80
SLC10A1 Q14973 1/20 0.80
CISD1 Q9NZ45 1/20 0.80
CYP3A4 P08684 1/20 0.80
VDR P11473 1/20 0.78
EPHA2 P29317 1/20 0.78
NR3C1 P04150 1/20 0.76
ABCC4 O15439 1/20 0.75

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
Glycoursodeoxycholic Acid SCHEMBL20204267 1.00 GPBAR1 (1.00) GPBAR1NR1H4ABCB11ENPP2SLC10A2
Glycoursodeoxycholic Acid SCHEMBL13851608 1.00 GPBAR1 (1.00) GPBAR1NR1H4ABCB11ENPP2SLC10A2
Glycoursodeoxycholic Acid SCHEMBL11962429 1.00 GPBAR1 (1.00) GPBAR1NR1H4ABCB11ENPP2SLC10A2
Glycoursodeoxycholic Acid SCHEMBL28793575 1.00 GPBAR1 (1.00) GPBAR1NR1H4ABCB11ENPP2SLC10A2
Glycoursodeoxycholic Acid SCHEMBL12917601 1.00 GPBAR1 (1.00) GPBAR1NR1H4ABCB11ENPP2SLC10A2
Glycochenodeoxycholate SCHEMBL236354 1.00 GPBAR1 (1.00) GPBAR1NR1H4ABCB11ENPP2SLC10A2
Glycoursodeoxycholic Acid SCHEMBL59881 1.00 GPBAR1 (1.00) GPBAR1NR1H4ABCB11ENPP2SLC10A2
Glycoursodeoxycholic Acid SCHEMBL935341 1.00 GPBAR1 (1.00) GPBAR1NR1H4ABCB11ENPP2SLC10A2
Glycoursodeoxycholic Acid SCHEMBL10694925 1.00 GPBAR1 (1.00) GPBAR1NR1H4ABCB11ENPP2SLC10A2
Glycoursodeoxycholic Acid SCHEMBL1219678 1.00 GPBAR1 (1.00) GPBAR1NR1H4ABCB11ENPP2SLC10A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0359058-A1 2-Hydoxy-N,N,N-trimethyl-ethanaminium salts of 5-beta-cholan-24-oic acid Diamalt GmbH (DE) 1990-03-21 EP claimed
CN-117946442-A Modified eggshell membrane, immobilized enzyme and application thereof 盐城师范学院 2024-04-30 CN disclosed
EP-0387325-B1 2-HYDROXY-N,N,N-TRIMETHYLETHANAMINIUM SALTS OF 5$g(b)-CHOLANE-24-ACID DERIVATES PHARMORGANA GMBH (DE) 1995-02-08 EP disclosed
EP-0359058-A1 2-Hydoxy-N,N,N-trimethyl-ethanaminium salts of 5-beta-cholan-24-oic acid Diamalt GmbH (DE) 1990-03-21 EP disclosed