SCHEMBL2772157

SCHEMBL2772157

Cc1cc(OCc2c(C(C)C)cnn2-c2c(Cl)cccc2Cl)ccc1CCOc1ccc(Cl)cc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 5/20 0.53
▸ PPARG P37231 4/20 0.40
▸ PPARA Q07869 3/20 0.40
▸ PPARD Q03181 3/20 0.40
▸ MAPK14 Q16539 2/20 0.37
▸ METTL3 Q86U44 1/20 0.37
▸ METTL14 Q9HCE5 1/20 0.37
▸ MRGPRX4 Q96LA9 1/20 0.36
▸ PLA2G4A P47712 1/20 0.34
▸ NR4A1 P22736 1/20 0.34
▸ NR4A2 P43354 1/20 0.34
▸ NR4A3 Q92570 1/20 0.34
▸ FFAR1 O14842 1/20 0.34

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
SCHEMBL2773708 0.94 NR1H4 (0.53) NR1H4PPARGPPARAPPARDMAPK14
SCHEMBL2786965 0.93 NR1H4 (0.52) NR1H4PPARGPPARAPPARDMAPK14
SCHEMBL2771389 0.92 NR1H4 (0.54) NR1H4PPARGPPARAPPARDMAPK14
SCHEMBL2771809 0.92 NR1H4 (0.54) NR1H4PPARGPPARAPPARDMAPK14
SCHEMBL2772849 0.88 NR1H4 (0.54) NR1H4PPARGPPARAPPARDMAPK14
SCHEMBL2772480 0.87 NR1H4 (0.60) NR1H4PPARGPPARAMRGPRX4PLA2G4A
SCHEMBL2770890 0.86 NR1H4 (0.64) NR1H4PPARGPPARAMRGPRX4NR4A1
SCHEMBL2787707 0.85 NR1H4 (0.59) NR1H4PPARDMRGPRX4NR4A2
SCHEMBL2770409 0.84 NR1H4 (0.49) NR1H4PPARGPPARAPPARD
SCHEMBL2773673 0.83 NR1H4 (0.47) NR1H4PPARGPPARAPPARD

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
EP-2029547-B1 FXR AGONISTS LILLY CO ELI (US) 2010-04-28 — — EP disclosed
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