Taurochenodeoxycholate

Taurochenodeoxycholate

SCHEMBL9070059

C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CCC2C3C(CC[C@@]21C)[C@@]1(C)CC[C@@H](O)CC1C[C@H]3O.C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CCC2C3C(CC[C@@]21C)[C@@]1(C)CC[C@@H](O)CC1C[C@H]3O.[Fe+2]

nearest known ligand 0.84

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 8/20 0.84
NR1H4 Q96RI1 5/20 0.84
SLC10A2 Q12908 3/20 0.84
ABCB11 O95342 2/20 0.84
ENPP2 Q13822 2/20 0.84
ABCC4 O15439 1/20 0.84
PLA2G1B P04054 1/20 0.84
TSHR P16473 1/20 0.79
RAB9A P51151 1/20 0.79
LMNA P02545 1/20 0.79
BLM P54132 1/20 0.79
SLC10A1 Q14973 3/20 0.76
CA1 P00915 3/20 0.70
CA2 P00918 3/20 0.70
NR3C1 P04150 1/20 0.69

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
Taurochenodeoxycholate SCHEMBL9068987 1.00 GPBAR1 (0.84) GPBAR1NR1H4SLC10A2ABCB11ENPP2
Taurochenodeoxycholate SCHEMBL29481129 0.98 GPBAR1 (0.84) GPBAR1NR1H4SLC10A2ABCB11ENPP2
Taurochenodeoxycholate SCHEMBL60964 0.98 GPBAR1 (0.84) GPBAR1NR1H4SLC10A2ABCB11ENPP2
Taurochenodeoxycholate SCHEMBL29461502 0.98 GPBAR1 (0.84) GPBAR1NR1H4SLC10A2ABCB11ENPP2
Taurochenodeoxycholate SCHEMBL20261732 0.98 GPBAR1 (0.84) GPBAR1NR1H4SLC10A2ABCB11ENPP2
Taurochenodeoxycholate SCHEMBL10695686 0.98 GPBAR1 (0.84) GPBAR1NR1H4SLC10A2ABCB11ENPP2
Taurochenodeoxycholate SCHEMBL9070400 0.98 GPBAR1 (0.84) GPBAR1NR1H4SLC10A2ABCB11ENPP2
Taurochenodeoxycholate SCHEMBL178108 0.98 GPBAR1 (0.84) GPBAR1NR1H4SLC10A2ABCB11ENPP2
Taurochenodeoxycholate SCHEMBL10695689 0.98 GPBAR1 (0.84) GPBAR1NR1H4SLC10A2ABCB11ENPP2
Taurochenodeoxycholate SCHEMBL30341854 0.98 GPBAR1 (0.84) GPBAR1NR1H4SLC10A2ABCB11ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130336955-A1 ANTIMICROBIAL FUSION COMPOUNDS AND USES THEREOF VALIANT BIOPHARMA SDN BHD (MY) 2013-12-19 US claimed
US-5578304-A Compositions of digestive enzymes and salts of bile acids and process for preparation thereof DIGESTIVE CARE INC. (US) 1996-11-26 US claimed
US-5460812-A Comprising buffer, disintegrant, adhesive polymer and acid resistant polymeric coating; for digestion, liver disorders, cystic fibrosis, dissolving gallstones DIGESTIVE CARE INC. (US) 1995-10-24 US claimed
EP-2661451-B1 ANTIMICROBIAL FUSION COMPOUNDS AND USES THEREOF VALIANT BIOPHARMA SDN BHD (MY) 2019-10-09 EP disclosed
US-20160068829-A1 ANTIMICROBIAL FUSION COMPOUNDS AND USES THEREOF VALIANT BIOPHARMA SDN BHD (MY) 2016-03-10 US disclosed
US-9155800-B2 Antimicrobial fusion compounds and uses thereof VALIANT BIOPHARMA SDN BHD (MY) 2015-10-13 US disclosed
US-20150284438-A1 DOSAGE REGIME OF FUSION COMPOUNDS BIOVALENCE SDN. BHD. (MY) 2015-10-08 US disclosed
US-20150202250-A1 ANTICANCER TREATMENT BIOVALENCE SDN. BHD. (MY) 2015-07-23 US disclosed
EP-2864362-A1 ANTICANCER TREATMENT Biovalence Sdn. Bhd. (MY) 2015-04-29 EP disclosed
EP-2864361-A1 DOSAGE REGIME OF FUSION COMPOUNDS Biovalence Sdn. Bhd. (MY) 2015-04-29 EP disclosed
WO-2014003536-A9 DOSAGE REGIME OF FUSION COMPOUNDS BIOVALENCE SDN. BHD. (MY) 2014-01-30 WO disclosed
WO-2014003537-A1 ANTICANCER TREATMENT BIOVALENCE SDN. BHD. (MY) 2014-01-03 WO disclosed
WO-2014003536-A1 DOSAGE REGIME OF FUSION COMPOUNDS BIOVALENCE SDN. BHD. (MY) 2014-01-03 WO disclosed
US-20130336955-A1 ANTIMICROBIAL FUSION COMPOUNDS AND USES THEREOF VALIANT BIOPHARMA SDN BHD (MY) 2013-12-19 US disclosed
EP-2661451-A1 ANTIMICROBIAL FUSION COMPOUNDS AND USES THEREOF Valiant Biopharma SDN BHD (MY) 2013-11-13 EP disclosed
WO-2012093931-A1 ANTIMICROBIAL FUSION COMPOUNDS AND USES THEREOF VALIANT BIOPHARMA SDN BHD (MY) 2012-07-12 WO disclosed
US-5578304-A Compositions of digestive enzymes and salts of bile acids and process for preparation thereof DIGESTIVE CARE INC. (US) 1996-11-26 US disclosed