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Cholic Acid

Cholic Acid

SCHEMBL437269

C[C@H](CCC(=O)O)[C@H]1CCC2C3C(C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O.C[C@H](CCC(=O)OC(=O)CC[C@@H](C)[C@H]1CCC2C3C(C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O)[C@H]1CC[C@H]2[C@@H]3CCC4CCCC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.71

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 8/20 0.71
▸ NR1H4 Q96RI1 5/20 0.71
▸ CYP3A4 P08684 4/20 0.71
▸ PDE3A Q14432 2/20 0.71
▸ LMNA P02545 3/20 0.67
▸ MEN1 O00255 4/20 0.66
▸ KMT2A Q03164 4/20 0.66
▸ SLCO1B3 Q9NPD5 1/20 0.66
▸ SLCO1B1 Q9Y6L6 1/20 0.66
▸ USP2 O75604 1/20 0.66
▸ SLC10A2 Q12908 3/20 0.63
▸ ABCB11 O95342 2/20 0.63
▸ TDP1 Q9NUW8 2/20 0.63
▸ CYP2C19 P33261 1/20 0.63
▸ CHRM2 P08172 1/20 0.63
▸ ADRA2A P08913 1/20 0.63
▸ ADRA1A P35348 1/20 0.63
▸ ENPP2 Q13822 1/20 0.63
▸ SLC10A1 Q14973 1/20 0.63
▸ CISD1 Q9NZ45 1/20 0.63

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
Cholic Acid SCHEMBL288946 0.96 GPBAR1 (0.78) GPBAR1NR1H4CYP3A4PDE3ALMNA
Cholic Acid SCHEMBL437268 0.96 GPBAR1 (0.78) GPBAR1NR1H4CYP3A4PDE3ALMNA
Cholic Acid SCHEMBL2467584 0.90 GPBAR1 (0.85) GPBAR1NR1H4CYP3A4PDE3ALMNA
SCHEMBL288947 0.90 GPBAR1 (0.63) GPBAR1NR1H4CYP3A4PDE3ALMNA
Ursodiol SCHEMBL288121 0.89 GPBAR1 (0.81) GPBAR1NR1H4CYP3A4LMNAMEN1
Chenodiol SCHEMBL288703 0.89 GPBAR1 (0.81) GPBAR1NR1H4CYP3A4LMNAMEN1
SCHEMBL2467588 0.88 GPBAR1 (0.72) GPBAR1NR1H4CYP3A4PDE3ALMNA
Cholic Acid SCHEMBL1758945 0.87 GPBAR1 (0.82) GPBAR1NR1H4CYP3A4PDE3ALMNA
Cholic Acid SCHEMBL1287856 0.86 GPBAR1 (0.93) GPBAR1NR1H4CYP3A4PDE3ALMNA
Deoxycholic Acid SCHEMBL7546764 0.86 GPBAR1 (0.83) GPBAR1NR1H4CYP3A4PDE3ALMNA

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-2595661-A1 GROWTH HORMONE CONJUGATES Novo Nordisk Health Care AG (CH) 2013-05-29 — — EP disclosed
WO-2012010516-A1 GROWTH HORMONE CONJUGATES NOVO NORDISK HEALTH CARE AG (CH) 2012-01-26 — — WO disclosed