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Chenodiol

Chenodiol

SCHEMBL2638869

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

nearest known ligand 0.89

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

NR1H4

The experimentally established mechanism targets of Chenodiol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 known ✓ Q96RI1 5/20 0.89
▸ GPBAR1 Q8TDU6 10/20 0.89
▸ TDP1 Q9NUW8 3/20 0.89
▸ MEN1 O00255 2/20 0.89
▸ KMT2A Q03164 2/20 0.89
▸ ABCB11 O95342 2/20 0.89
▸ SLC10A2 Q12908 2/20 0.89
▸ LMNA P02545 2/20 0.89
▸ CYP3A4 P08684 2/20 0.89
▸ CYP2C19 P33261 1/20 0.89
▸ CHRM2 P08172 1/20 0.89
▸ ADRA2A P08913 1/20 0.89
▸ ADRA1A P35348 1/20 0.89
▸ ENPP2 Q13822 1/20 0.89
▸ SLC10A1 Q14973 1/20 0.89
▸ CISD1 Q9NZ45 1/20 0.89
▸ CASP7 P55210 3/20 0.86
▸ TP53 P04637 2/20 0.86
▸ MAPK1 P28482 2/20 0.86
▸ HSD17B10 Q99714 2/20 0.86

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
Ursodiol SCHEMBL517849 1.00 GPBAR1 (0.89) GPBAR1NR1H4TDP1MEN1KMT2A
Chenodiol SCHEMBL24124587 0.94 GPBAR1 (1.00) GPBAR1NR1H4TDP1MEN1KMT2A
Chenodiol SCHEMBL22079179 0.94 GPBAR1 (1.00) GPBAR1NR1H4TDP1MEN1KMT2A
Chenodiol SCHEMBL22108119 0.94 GPBAR1 (1.00) GPBAR1NR1H4TDP1MEN1KMT2A
Chenodiol SCHEMBL25337648 0.94 GPBAR1 (1.00) GPBAR1NR1H4TDP1MEN1KMT2A
Chenodiol SCHEMBL24199134 0.94 GPBAR1 (1.00) GPBAR1NR1H4TDP1MEN1KMT2A
Chenodiol SCHEMBL24061005 0.94 GPBAR1 (1.00) GPBAR1NR1H4TDP1MEN1KMT2A
Chenodiol SCHEMBL25397934 0.94 GPBAR1 (1.00) GPBAR1NR1H4TDP1MEN1KMT2A
Chenodiol SCHEMBL23517166 0.94 GPBAR1 (1.00) GPBAR1NR1H4TDP1MEN1KMT2A
Chenodiol SCHEMBL23704676 0.94 GPBAR1 (1.00) GPBAR1NR1H4TDP1MEN1KMT2A

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-2861259-A1 ANTI-PSMA ANTIBODIES CONJUGATED TO NUCLEAR RECEPTOR LIGAND POLYPEPTIDES Ambrx, Inc. (US) 2015-04-22 — — EP disclosed
WO-2013188740-A1 ANTI-PSMA ANTIBODIES CONJUGATED TO NUCLEAR RECEPTOR LIGAND POLYPEPTIDES AMBRX, INC. (US) 2013-12-19 — — WO disclosed
EP-2569000-A1 GLUCAGON SUPERFAMILY PEPTIDES EXHIBITING NUCLEAR HORMONE RECEPTOR ACTIVITY Indiana University Research and Technology Corporation (US) 2013-03-20 — — EP disclosed
WO-2011143209-A1 GLUCAGON SUPERFAMILY PEPTIDES EXHIBITING NUCLEAR HORMONE RECEPTOR ACTIVITY INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2011-11-17 — — WO disclosed