Taurocholic Acid

Taurocholic Acid

SCHEMBL205934

C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.O=C(O)O

nearest known ligand 0.97

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

The experimentally established mechanism targets of Taurocholic Acid. 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
GPBAR1 Q8TDU6 7/20 0.97
SLC10A2 Q12908 4/20 0.97
SLC10A1 Q14973 3/20 0.97
TSHR P16473 1/20 0.83
RAB9A P51151 1/20 0.83
LMNA P02545 1/20 0.83
BLM P54132 1/20 0.83
NR1H4 Q96RI1 3/20 0.79
ABCB11 O95342 2/20 0.79
ABCC4 O15439 2/20 0.79
PLA2G1B P04054 1/20 0.79
ENPP2 Q13822 1/20 0.79
KMT2A Q03164 2/20 0.75
CYP3A4 P08684 3/20 0.71
PDE3A Q14432 1/20 0.71
CA1 P00915 2/20 0.70
CA2 P00918 2/20 0.70
MEN1 O00255 1/20 0.68
SLCO1B3 Q9NPD5 1/20 0.68
SLCO1B1 Q9Y6L6 1/20 0.68

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
Taurocholic Acid SCHEMBL205933 1.00 GPBAR1 (0.97) GPBAR1SLC10A2SLC10A1TSHRRAB9A
Taurocholic Acid SCHEMBL5083946 0.98 GPBAR1 (1.00) GPBAR1SLC10A2SLC10A1TSHRRAB9A
Taurocholic Acid SCHEMBL3706 0.98 GPBAR1 (1.00) GPBAR1SLC10A2SLC10A1TSHRRAB9A
Taurocholic Acid SCHEMBL10696857 0.98 GPBAR1 (1.00) GPBAR1SLC10A2SLC10A1TSHRRAB9A
Taurocholic Acid SCHEMBL24486612 0.98 GPBAR1 (1.00) GPBAR1SLC10A2SLC10A1TSHRRAB9A
Taurocholic Acid SCHEMBL24001492 0.98 GPBAR1 (1.00) GPBAR1SLC10A2SLC10A1TSHRRAB9A
Taurocholic Acid SCHEMBL435030 0.98 GPBAR1 (1.00) GPBAR1SLC10A2SLC10A1TSHRRAB9A
Taurocholic Acid SCHEMBL22852508 0.98 GPBAR1 (1.00) GPBAR1SLC10A2SLC10A1TSHRRAB9A
Taurocholic Acid SCHEMBL20493965 0.98 GPBAR1 (1.00) GPBAR1SLC10A2SLC10A1TSHRRAB9A
Taurocholic Acid SCHEMBL3705 0.98 GPBAR1 (1.00) GPBAR1SLC10A2SLC10A1TSHRRAB9A

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
US-8088753-B2 Heparin conjugates and methods MEDIPLEX CORPORATION, KOREA (KR) 2012-01-03 US disclosed
EP-2173359-A2 HEPARIN CONJUGATES AND METHODS Mediplex Corp. (KR) 2010-04-14 EP disclosed
US-20090149424-A1 HEPARIN CONJUGATES AND METHODS MEDIPLEX CORPORATION, KOREA (KR) 2009-06-11 US disclosed
WO-2009005258-A2 HEPARIN CONJUGATES AND METHODS MEDIPLEX CORP. (KR) 2009-01-08 WO disclosed