SCHEMBL2773750

SCHEMBL2773750

Cc1cc(OCc2c(C(C)C)cnn2-c2ccccc2OC(F)(F)F)ccc1-c1ccc2c(OC(=O)O)cn(C)c2c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 14/20 0.42
FFAR1 O14842 2/20 0.35
SCN9A Q15858 2/20 0.34
SCN5A Q14524 1/20 0.34
LNPEP Q9UIQ6 1/20 0.34
PPARD Q03181 1/20 0.32

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
SCHEMBL2770076 0.91 NR1H4 (0.51) NR1H4SCN9A
SCHEMBL2770754 0.88 NR1H4 (0.34) NR1H4FFAR1LNPEPPPARD
SCHEMBL2770877 0.84 NR1H4 (0.42) NR1H4LNPEPPPARD
SCHEMBL2770752 0.82 NR1H4 (0.39) NR1H4LNPEPPPARD
SCHEMBL2773688 0.82 NR1H4 (0.37) NR1H4LNPEPPPARD
SCHEMBL2773202 0.80 PPARD (0.36) NR1H4LNPEPPPARD
SCHEMBL2769767 0.79 NR1H4 (0.46) NR1H4
SCHEMBL2770864 0.78 NR1H4 (0.39) NR1H4LNPEPPPARD
SCHEMBL2772951 0.77 NR1H4 (0.37) NR1H4LNPEPPPARD
SCHEMBL2769790 0.76 NR1H4 (0.41) 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 claimed