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SCHEMBL7998870

SCHEMBL7998870

C[C@H](CCC(=O)O[C@@H]1CC[C@@]2(C)C(C1)C[C@@H](O)[C@H]1[C@@H]3CC[C@H]([C@H](C)CCC(=O)NCCS(=O)(=O)O)[C@@]3(C)[C@@H](O)C[C@@H]12)[C@H]1CCC2C3C(C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 7/20 0.86
▸ SLC10A1 Q14973 4/20 0.86
▸ SLC10A2 Q12908 4/20 0.86
▸ TSHR P16473 1/20 0.74
▸ RAB9A P51151 1/20 0.74
▸ LMNA P02545 1/20 0.74
▸ BLM P54132 1/20 0.74
▸ NR1H4 Q96RI1 2/20 0.71
▸ ABCC4 O15439 2/20 0.71
▸ ABCB11 O95342 2/20 0.71
▸ PLA2G1B P04054 1/20 0.71
▸ ENPP2 Q13822 1/20 0.71
▸ CYP3A4 P08684 2/20 0.68
▸ KMT2A Q03164 2/20 0.68
▸ MEN1 O00255 1/20 0.68
▸ SLCO1B3 Q9NPD5 1/20 0.68
▸ SLCO1B1 Q9Y6L6 1/20 0.68
▸ USP2 O75604 1/20 0.68
▸ CA1 P00915 1/20 0.63
▸ CA2 P00918 1/20 0.63

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
SCHEMBL23222893 1.00 GPBAR1 (0.86) GPBAR1SLC10A1SLC10A2TSHRRAB9A
SCHEMBL25791272 1.00 GPBAR1 (0.86) GPBAR1SLC10A1SLC10A2TSHRRAB9A
SCHEMBL23222871 1.00 GPBAR1 (0.86) GPBAR1SLC10A1SLC10A2TSHRRAB9A
SCHEMBL5570512 0.97 SLC10A1 (0.89) GPBAR1SLC10A1SLC10A2TSHRRAB9A
SCHEMBL23222857 0.97 SLC10A1 (0.89) GPBAR1SLC10A1SLC10A2TSHRRAB9A
SCHEMBL15539504 0.96 GPBAR1 (0.84) GPBAR1SLC10A1SLC10A2TSHRRAB9A
SCHEMBL25791224 0.94 GPBAR1 (0.76) GPBAR1SLC10A1SLC10A2TSHRRAB9A
Taurocholic Acid SCHEMBL24001492 0.93 GPBAR1 (1.00) GPBAR1SLC10A1SLC10A2TSHRRAB9A
Taurocholic Acid SCHEMBL22852508 0.93 GPBAR1 (1.00) GPBAR1SLC10A1SLC10A2TSHRRAB9A
Taurocholic Acid SCHEMBL20493965 0.93 GPBAR1 (1.00) GPBAR1SLC10A1SLC10A2TSHRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0825851-A4 EMULSION SUITABLE FOR ADMINISTERING A POORLY WATER-SOLUBLE PHOTOSENSITIZING COMPOUND AND USE THEREOF PHARMACIA & UPJOHN AB (SE) 2000-08-09 — — EP disclosed
EP-0825851-A1 EMULSION SUITABLE FOR ADMINISTERING A POORLY WATER-SOLUBLE PHOTOSENSITIZING COMPOUND AND USE THEREOF Pharmacia & Upjohn Aktiebolag (SE) 1998-03-04 — — EP disclosed
WO-1996032094-A1 EMULSION SUITABLE FOR ADMINISTERING A POORLY WATER-SOLUBLE PHOTOSENSITIZING COMPOUND AND USE THEREOF PHARMACIA & UPJOHN AB (SE) 1996-10-17 — — WO disclosed