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SCHEMBL433005

SCHEMBL433005

C[C@H](CCC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2C[C@H](O)[C@]2(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]32)C1)[C@H]1CCC2C3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@@]21C

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 7/20 0.83
▸ NR1H4 Q96RI1 4/20 0.83
▸ PDE3A Q14432 2/20 0.83
▸ TBXA2R P21731 1/20 0.83
▸ SLC10A2 Q12908 1/20 0.83
▸ MAPT P10636 3/20 0.76
▸ MAPK1 P28482 3/20 0.76
▸ USP2 O75604 3/20 0.76
▸ LMNA P02545 2/20 0.76
▸ MEN1 O00255 1/20 0.76
▸ KMT2A Q03164 1/20 0.76
▸ CASP7 P55210 3/20 0.65
▸ TP53 P04637 2/20 0.65
▸ HSD17B10 Q99714 2/20 0.65
▸ BLM P54132 2/20 0.65
▸ TDP1 Q9NUW8 2/20 0.65
▸ CYP3A4 P08684 2/20 0.65
▸ VDR P11473 2/20 0.65
▸ MDM4 O15151 1/20 0.65
▸ HSPD1 P10809 1/20 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
SCHEMBL2323981 0.97 GPBAR1 (0.78) GPBAR1NR1H4PDE3ATBXA2RSLC10A2
SCHEMBL25791236 0.94 GPBAR1 (0.75) GPBAR1NR1H4PDE3ATBXA2RSLC10A2
SCHEMBL25791216 0.94 GPBAR1 (0.75) GPBAR1NR1H4PDE3ATBXA2RSLC10A2
SCHEMBL2637801 0.94 GPBAR1 (0.75) GPBAR1NR1H4PDE3ATBXA2RSLC10A2
SCHEMBL7546767 0.93 GPBAR1 (0.71) GPBAR1NR1H4PDE3ATBXA2RSLC10A2
SCHEMBL246889 0.93 GPBAR1 (0.71) GPBAR1NR1H4PDE3ATBXA2RSLC10A2
SCHEMBL2369521 0.93 GPBAR1 (0.71) GPBAR1NR1H4PDE3ATBXA2RSLC10A2
Lagodeoxycholate SCHEMBL24032585 0.91 GPBAR1 (1.00) GPBAR1NR1H4PDE3ATBXA2RSLC10A2
Lagodeoxycholate SCHEMBL24124431 0.91 GPBAR1 (1.00) GPBAR1NR1H4PDE3ATBXA2RSLC10A2
Lagodeoxycholate SCHEMBL22415770 0.91 GPBAR1 (1.00) GPBAR1NR1H4PDE3ATBXA2RSLC10A2

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-2595661-A1 GROWTH HORMONE CONJUGATES Novo Nordisk Health Care AG (CH) 2013-05-29 — — EP disclosed
WO-2012010516-A1 GROWTH HORMONE CONJUGATES NOVO NORDISK HEALTH CARE AG (CH) 2012-01-26 — — WO disclosed