SCHEMBL2772913

SCHEMBL2772913

Cc1cc(OCc2c(C(C)C)cnn2-c2ccccc2OC(F)(F)F)ccc1/C=C/c1cccc(C(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.62

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
SCHEMBL2772915 1.00 NR1H4 (0.62) NR1H4
SCHEMBL2773871 0.90 NR1H4 (0.63) NR1H4
SCHEMBL2773874 0.90 NR1H4 (0.63) NR1H4
SCHEMBL3159296 0.88 NR1H4 (0.61) NR1H4
SCHEMBL3159291 0.88 NR1H4 (0.61) NR1H4
SCHEMBL2773683 0.84 NR1H4 (0.72) NR1H4
SCHEMBL2773684 0.84 NR1H4 (0.72) NR1H4
SCHEMBL2769799 0.83 NR1H4 (0.54) NR1H4
SCHEMBL2769802 0.83 NR1H4 (0.54) NR1H4
SCHEMBL2770975 0.83 NR1H4 (0.44) 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