SCHEMBL5084428

SCHEMBL5084428

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

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 9/20 0.79
▸ NR1H4 Q96RI1 4/20 0.72
▸ TDP1 Q9NUW8 3/20 0.72
▸ MEN1 O00255 2/20 0.72
▸ KMT2A Q03164 2/20 0.72
▸ ABCB11 O95342 2/20 0.72
▸ SLC10A2 Q12908 2/20 0.72
▸ LMNA P02545 2/20 0.72
▸ CYP3A4 P08684 2/20 0.72
▸ CYP2C19 P33261 1/20 0.72
▸ CHRM2 P08172 1/20 0.72
▸ ADRA2A P08913 1/20 0.72
▸ ADRA1A P35348 1/20 0.72
▸ ENPP2 Q13822 1/20 0.72
▸ SLC10A1 Q14973 1/20 0.72
▸ CISD1 Q9NZ45 1/20 0.72
▸ CASP7 P55210 3/20 0.65
▸ TP53 P04637 2/20 0.65
▸ MAPK1 P28482 2/20 0.65
▸ HSD17B10 Q99714 2/20 0.65

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
SCHEMBL4622117 1.00 GPBAR1 (0.79) GPBAR1NR1H4TDP1MEN1KMT2A
SCHEMBL1656467 1.00 GPBAR1 (0.79) GPBAR1NR1H4TDP1MEN1KMT2A
SCHEMBL22717115 1.00 GPBAR1 (0.79) GPBAR1NR1H4TDP1MEN1KMT2A
Ursulcholic Acid SCHEMBL5683101 0.92 GPBAR1 (0.72) GPBAR1NR1H4TDP1MEN1KMT2A
Ursulcholic Acid SCHEMBL27095060 0.91 ABCC4 (0.77) GPBAR1NR1H4TDP1MEN1KMT2A
Ursulcholic Acid SCHEMBL2919469 0.91 ABCC4 (0.77) GPBAR1NR1H4TDP1MEN1KMT2A
Ursulcholic Acid SCHEMBL6269998 0.91 ABCC4 (0.77) GPBAR1NR1H4TDP1MEN1KMT2A
SCHEMBL24208313 0.90 GPBAR1 (0.75) GPBAR1NR1H4TDP1MEN1KMT2A
SCHEMBL22079151 0.90 GPBAR1 (0.75) GPBAR1NR1H4TDP1MEN1KMT2A
SCHEMBL21710942 0.90 GPBAR1 (0.72) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080286354-A1 COMPOSITION AND THERAPIES FOR HYPERLIPIDAEMIA-ASSOCIATED DISORDERS BORODY THOMAS JULIUS 2008-11-20 — — US claimed
EP-1284723-A4 COMPOSITIONS AND THERAPIES FOR HYPERLIPIDAEMIA-ASSOCIATED DISORDERS BORODY THOMAS J (AU) 2004-06-30 — — EP claimed
US-20040009961-A1 Composition and therapies for hyperlipidaemia-associated disorders BORODY THOMAS JULIUS (AU) 2004-01-15 — — US claimed
EP-1284723-A1 COMPOSITIONS AND THERAPIES FOR HYPERLIPIDAEMIA-ASSOCIATED DISORDERS Borody, Thomas, Julius (AU) 2003-02-26 — — EP claimed
WO-2001080852-A1 COMPOSITIONS AND THERAPIES FOR HYPERLIPIDAEMIA-ASSOCIATED DISORDERS BORODY THOMAS J (AU) 2001-11-01 — — WO claimed
US-20080286354-A1 COMPOSITION AND THERAPIES FOR HYPERLIPIDAEMIA-ASSOCIATED DISORDERS BORODY THOMAS JULIUS 2008-11-20 — — US disclosed
EP-1284723-A4 COMPOSITIONS AND THERAPIES FOR HYPERLIPIDAEMIA-ASSOCIATED DISORDERS BORODY THOMAS J (AU) 2004-06-30 — — EP disclosed
US-20040009961-A1 Composition and therapies for hyperlipidaemia-associated disorders BORODY THOMAS JULIUS (AU) 2004-01-15 — — US disclosed
EP-1284723-A1 COMPOSITIONS AND THERAPIES FOR HYPERLIPIDAEMIA-ASSOCIATED DISORDERS Borody, Thomas, Julius (AU) 2003-02-26 — — EP disclosed
WO-2001080852-A1 COMPOSITIONS AND THERAPIES FOR HYPERLIPIDAEMIA-ASSOCIATED DISORDERS BORODY THOMAS J (AU) 2001-11-01 — — WO disclosed
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