SCHEMBL24151982

SCHEMBL24151982

C[C@H](CCC(=O)O)[C@H]1CCC2C3CCC4CCCC[C@]4(C)C3C[C@H](O)[C@@]21C

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 8/20 0.78
NR1H4 Q96RI1 5/20 0.78
PDE3A Q14432 2/20 0.78
TBXA2R P21731 1/20 0.78
SLC10A2 Q12908 1/20 0.78
EPHA2 P29317 3/20 0.72
HSD17B10 Q99714 3/20 0.72
TDP1 Q9NUW8 3/20 0.72
MEN1 O00255 2/20 0.72
LMNA P02545 2/20 0.72
KMT2A Q03164 2/20 0.72
AKR1B10 O60218 2/20 0.72
AKR1B1 P15121 2/20 0.72
EFNA1 P20827 1/20 0.72
PSEN1 P49768 1/20 0.72
PSEN2 P49810 1/20 0.72
APH1B Q8WW43 1/20 0.72
NCSTN Q92542 1/20 0.72
APH1A Q96BI3 1/20 0.72
PSENEN Q9NZ42 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
SCHEMBL20012370 1.00 GPBAR1 (0.78) GPBAR1NR1H4PDE3ATBXA2RSLC10A2
SCHEMBL13337745 1.00 GPBAR1 (0.78) GPBAR1NR1H4PDE3ATBXA2RSLC10A2
SCHEMBL19457969 1.00 GPBAR1 (0.78) GPBAR1NR1H4PDE3ATBXA2RSLC10A2
SCHEMBL11057932 1.00 GPBAR1 (0.78) GPBAR1NR1H4PDE3ATBXA2RSLC10A2
SCHEMBL23240818 1.00 GPBAR1 (0.78) GPBAR1NR1H4PDE3ATBXA2RSLC10A2
SCHEMBL19313986 1.00 GPBAR1 (0.78) GPBAR1NR1H4PDE3ATBXA2RSLC10A2
SCHEMBL23710532 1.00 GPBAR1 (0.78) GPBAR1NR1H4PDE3ATBXA2RSLC10A2
SCHEMBL23781673 1.00 GPBAR1 (0.78) GPBAR1NR1H4PDE3ATBXA2RSLC10A2
SCHEMBL22415771 1.00 GPBAR1 (0.78) GPBAR1NR1H4PDE3ATBXA2RSLC10A2
SCHEMBL15106578 1.00 GPBAR1 (0.78) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021258723-A1 METHOD FOR SYNTHESIZING LITHOCHOLIC ACID WITH BA AS RAW MATERIAL 江苏佳尔科药业集团股份有限公司 2021-12-30 WO disclosed