SCHEMBL2771727

SCHEMBL2771727

Cc1cc(OCc2c(C(C)C)cnn2-c2c(Cl)cccc2Cl)ccc1-c1ccc2c(C(=O)O)c[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 14/20 0.52
PRKAB2 O43741 6/20 0.42
PRKAG1 P54619 6/20 0.42
PRKAA2 P54646 6/20 0.42
PRKAA1 Q13131 6/20 0.42
PRKAG3 Q9UGI9 6/20 0.42
PRKAG2 Q9UGJ0 6/20 0.42
PRKAB1 Q9Y478 6/20 0.42

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
SCHEMBL2788558 0.94 NR1H4 (0.52) NR1H4PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL2774467 0.88 NR1H4 (0.57) NR1H4
SCHEMBL2773272 0.88 NR1H4 (0.57) NR1H4
SCHEMBL2771077 0.86 NR1H4 (0.55) NR1H4
SCHEMBL2770999 0.86 NR1H4 (0.49) NR1H4
SCHEMBL2773377 0.86 NR1H4 (0.52) NR1H4
SCHEMBL2772894 0.86 NR1H4 (0.67) NR1H4
SCHEMBL2770954 0.85 NR1H4 (0.52) NR1H4
SCHEMBL2771697 0.85 NR1H4 (0.63) NR1H4
SCHEMBL2773861 0.84 NR1H4 (0.53) NR1H4

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