SCHEMBL6364874

SCHEMBL6364874

C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCC(O)C(O)[C@@]43C)[C@@H]1CC[C@@H]2[C@H](CO)CCC(=O)NCCS(=O)(=O)O

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 12/20 0.61
ABCC4 O15439 4/20 0.61
VDR P11473 1/20 0.61
SLC10A2 Q12908 4/20 0.56
NR1H4 Q96RI1 4/20 0.54
ABCB11 O95342 1/20 0.54
PLA2G1B P04054 1/20 0.54
ENPP2 Q13822 1/20 0.54
SLC10A1 Q14973 5/20 0.50
EPHA2 P29317 1/20 0.46

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
SCHEMBL5667728 0.86 GPBAR1 (0.59) GPBAR1ABCC4VDRSLC10A2NR1H4
SCHEMBL15156946 0.83 GPBAR1 (0.54) GPBAR1VDRSLC10A2NR1H4EPHA2
SCHEMBL10932516 0.83 GPBAR1 (0.54) GPBAR1VDRSLC10A2NR1H4EPHA2
SCHEMBL935606 0.83 GPBAR1 (0.54) GPBAR1VDRSLC10A2NR1H4EPHA2
Taurolithocholic Acid SCHEMBL24001385 0.76 GPBAR1 (1.00) GPBAR1ABCC4VDRSLC10A2NR1H4
Taurolithocholic Acid SCHEMBL18762171 0.76 GPBAR1 (1.00) GPBAR1ABCC4VDRSLC10A2NR1H4
Taurolithocholic Acid SCHEMBL364160 0.76 GPBAR1 (1.00) GPBAR1ABCC4VDRSLC10A2NR1H4
Taurolithocholic Acid SCHEMBL17309133 0.76 GPBAR1 (1.00) GPBAR1ABCC4VDRSLC10A2NR1H4
Taurolithocholic Acid SCHEMBL22727921 0.76 GPBAR1 (1.00) GPBAR1ABCC4VDRSLC10A2NR1H4
Taurolithocholic Acid SCHEMBL20065899 0.76 GPBAR1 (1.00) GPBAR1ABCC4VDRSLC10A2NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084432-B2 Administering oligonucleotide targeted to human ICAM-1 mRNA for therapy ISIS PHARMACEUTICALS, INC. (US) 2011-12-27 US disclosed
US-20050196443-A1 Pulsatile release compositions and methods for enhanced intestinal drug absorption ISIS PHARMACEUTICALS, INC. (US) 2005-09-08 US disclosed
US-20040162259-A1 Compositions and methods for treatment of pouchitis ISIS PHARMACEUTICALS, INC. 2004-08-19 US disclosed
EP-1080103-A4 COMPOSITIONS AND METHODS FOR NON-PARENTERAL DELIVERY OF OLIGONUCLEOTIDES ISIS PHARMACEUTICALS INC (US) 2003-07-02 EP disclosed
US-20030040497-A1 Compositions and methods for non-parenteral delivery of oligonucleotides ISIS PHARMACEUTICALS, INC. 2003-02-27 US disclosed
EP-1080103-A1 COMPOSITIONS AND METHODS FOR NON-PARENTERAL DELIVERY OF OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 2001-03-07 EP disclosed
WO-1999060012-A1 COMPOSITIONS AND METHODS FOR NON-PARENTERAL DELIVERY OF OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 1999-11-25 WO disclosed