SCHEMBL2845887

SCHEMBL2845887

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

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 7/20 0.78
▸ GPBAR1 Q8TDU6 10/20 0.71
▸ CYP3A4 P08684 2/20 0.71
▸ PDE3A Q14432 1/20 0.71
▸ LMNA P02545 1/20 0.66
▸ ABCB11 O95342 1/20 0.64
▸ ALDH1A1 P00352 1/20 0.64
▸ TDP1 Q9NUW8 1/20 0.64
▸ KMT2A Q03164 2/20 0.63
▸ MEN1 O00255 1/20 0.62
▸ SLCO1B3 Q9NPD5 1/20 0.62
▸ SLCO1B1 Q9Y6L6 1/20 0.62

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
SCHEMBL23694846 0.89 GPBAR1 (0.82) NR1H4GPBAR1CYP3A4PDE3ALMNA
SCHEMBL8226086 0.89 GPBAR1 (0.82) NR1H4GPBAR1CYP3A4PDE3ALMNA
SCHEMBL13651506 0.89 GPBAR1 (0.82) NR1H4GPBAR1CYP3A4PDE3ALMNA
SCHEMBL15156606 0.89 GPBAR1 (0.82) NR1H4GPBAR1CYP3A4PDE3ALMNA
SCHEMBL13340036 0.89 GPBAR1 (0.82) NR1H4GPBAR1CYP3A4PDE3ALMNA
SCHEMBL30555841 0.88 NR1H4 (1.00) NR1H4GPBAR1CYP3A4LMNAABCB11
SCHEMBL30555795 0.88 NR1H4 (1.00) NR1H4GPBAR1CYP3A4LMNAABCB11
SCHEMBL16227102 0.88 GPBAR1 (0.70) NR1H4GPBAR1CYP3A4PDE3ALMNA
SCHEMBL9760162 0.86 GPBAR1 (0.73) NR1H4GPBAR1CYP3A4PDE3ALMNA
SCHEMBL30892362 0.83 GPBAR1 (0.76) NR1H4GPBAR1CYP3A4PDE3ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197341-A1 CATHETER AND PROBE FOR MEASURING ANALYTES OR OTHER PARAMETERS Edwards Lifesciences Corporation (US) 2010-06-23 — — EP disclosed
WO-2009021172-A1 CATHETER AND PROBE FOR MEASURING ANALYTES OR OTHER PARAMETERS EDWARDS LIFESCIENCES CORPORATION (US) 2009-02-12 — — WO disclosed
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