SCHEMBL10084963

SCHEMBL10084963

CO[C@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@H](O)CC[C@@]32C)[C@@H]2CC[C@H]([C@H](C)CCC(=O)O)[C@@]12C

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 9/20 0.79
▸ NR1H4 Q96RI1 2/20 0.79
▸ TBXA2R P21731 1/20 0.79
▸ SLC10A2 Q12908 1/20 0.79
▸ PDE3A Q14432 1/20 0.79
▸ CASP7 P55210 3/20 0.72
▸ MAPK1 P28482 3/20 0.72
▸ MAPT P10636 3/20 0.72
▸ USP2 O75604 3/20 0.72
▸ VDR P11473 3/20 0.72
▸ TP53 P04637 2/20 0.72
▸ HSD17B10 Q99714 2/20 0.72
▸ BLM P54132 2/20 0.72
▸ TDP1 Q9NUW8 2/20 0.72
▸ LMNA P02545 2/20 0.72
▸ HIF1A Q16665 2/20 0.72
▸ EPHA2 P29317 2/20 0.72
▸ MDM4 O15151 1/20 0.72
▸ CYP3A4 P08684 1/20 0.72
▸ HSPD1 P10809 1/20 0.72

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
SCHEMBL19999176 0.91 GPBAR1 (0.65) GPBAR1NR1H4TBXA2RSLC10A2PDE3A
SCHEMBL23218026 0.90 GPBAR1 (0.75) GPBAR1NR1H4TBXA2RSLC10A2PDE3A
SCHEMBL16728362 0.88 GPBAR1 (0.73) GPBAR1NR1H4TBXA2RSLC10A2PDE3A
Lagodeoxycholate SCHEMBL22415770 0.88 GPBAR1 (1.00) GPBAR1NR1H4TBXA2RSLC10A2PDE3A
Lagodeoxycholate SCHEMBL22415902 0.88 GPBAR1 (1.00) GPBAR1NR1H4TBXA2RSLC10A2PDE3A
Lagodeoxycholate SCHEMBL22778334 0.88 GPBAR1 (1.00) GPBAR1NR1H4TBXA2RSLC10A2PDE3A
Lagodeoxycholate SCHEMBL24001452 0.88 GPBAR1 (1.00) GPBAR1NR1H4TBXA2RSLC10A2PDE3A
Lagodeoxycholate SCHEMBL24032585 0.88 GPBAR1 (1.00) GPBAR1NR1H4TBXA2RSLC10A2PDE3A
Lagodeoxycholate SCHEMBL24124431 0.88 GPBAR1 (1.00) GPBAR1NR1H4TBXA2RSLC10A2PDE3A
Lagodeoxycholate SCHEMBL23781732 0.88 GPBAR1 (1.00) GPBAR1NR1H4TBXA2RSLC10A2PDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012010516-A1 GROWTH HORMONE CONJUGATES NOVO NORDISK HEALTH CARE AG (CH) 2012-01-26 — — WO disclosed
Send feedback