SCHEMBL2773202

SCHEMBL2773202

Cc1cc(OCc2c(C(C)C)cnn2-c2ccccc2OC(F)(F)F)ccc1-c1ccc2cc(C(=O)O)sc2c1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 16/20 0.36
NR1H4 Q96RI1 3/20 0.35
LNPEP Q9UIQ6 1/20 0.34
PPARA Q07869 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
SCHEMBL2770877 0.86 NR1H4 (0.42) PPARDNR1H4LNPEPPPARA
SCHEMBL2770864 0.86 NR1H4 (0.39) PPARDNR1H4LNPEP
SCHEMBL2770752 0.86 NR1H4 (0.39) PPARDNR1H4LNPEP
SCHEMBL2770754 0.84 NR1H4 (0.34) PPARDNR1H4LNPEPPPARA
SCHEMBL2772951 0.83 NR1H4 (0.37) PPARDNR1H4LNPEPPPARA
SCHEMBL2773254 0.83 NR1H4 (0.52) NR1H4
SCHEMBL2770076 0.82 NR1H4 (0.51) NR1H4
SCHEMBL2773688 0.81 NR1H4 (0.37) PPARDNR1H4LNPEPPPARA
SCHEMBL2773750 0.80 NR1H4 (0.42) PPARDNR1H4LNPEP
SCHEMBL16456868 0.78 NR1H4 (0.60) 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