SCHEMBL29880841

SCHEMBL29880841

Cc1c(N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)ccc2oc(C(=O)O)cc12

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 3/20 0.57
LIPE Q05469 8/20 0.45
NR1H4 Q96RI1 1/20 0.45
ENPP2 Q13822 1/20 0.41
LPL P06858 2/20 0.41
HCRTR1 O43613 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
HSD11B1 P28845 3/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL1892366 1.00 LIPG (0.57) LIPGLIPENR1H4ENPP2LPL
SCHEMBL29881417 0.90 LIPG (0.57) LIPGLIPEENPP2LPLHSD11B1
SCHEMBL29880608 0.90 LIPG (0.57) LIPGLIPELPLHSD11B1
SCHEMBL1887869 0.90 LIPG (0.57) LIPGLIPEENPP2LPLHSD11B1
SCHEMBL1884656 0.90 LIPG (0.57) LIPGLIPELPLHSD11B1
SCHEMBL16354309 0.88 LIPG (0.54) LIPGLIPEENPP2LPLHCRTR1
SCHEMBL16354158 0.78 LIPG (0.54) LIPGLIPEENPP2LPLHSD11B1
SCHEMBL16354256 0.78 LIPG (0.54) LIPGLIPEENPP2LPLHSD11B1
SCHEMBL1890094 0.76 LIPG (0.49) LIPGLIPELPL
SCHEMBL1887486 0.73 EPHX2 (0.44) LIPGNR1H4LPLTSHR

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
CN-110404073-B Methods and pharmaceutical compositions for treating hepatitis B virus infection 国家医疗保健研究所 2022-08-16 CN disclosed