SCHEMBL2770754

SCHEMBL2770754

Cc1cc(OCc2c(C(C)C)cnn2-c2ccccc2OC(F)(F)F)ccc1-c1ccc2c(OC(=O)O)csc2c1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 7/20 0.34
LNPEP Q9UIQ6 1/20 0.34
PPARD Q03181 11/20 0.33
PPARA Q07869 4/20 0.33
FFAR1 O14842 1/20 0.32
PPARG P37231 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
SCHEMBL2770752 0.92 NR1H4 (0.39) NR1H4LNPEPPPARDPPARG
SCHEMBL2773750 0.88 NR1H4 (0.42) NR1H4LNPEPPPARDFFAR1
SCHEMBL2773202 0.84 PPARD (0.36) NR1H4LNPEPPPARDPPARA
SCHEMBL2770877 0.84 NR1H4 (0.42) NR1H4LNPEPPPARDPPARAPPARG
SCHEMBL2773688 0.83 NR1H4 (0.37) NR1H4LNPEPPPARDPPARA
SCHEMBL2770076 0.83 NR1H4 (0.51) NR1H4
SCHEMBL2773102 0.80 NR1H4 (0.40) NR1H4
SCHEMBL3156107 0.80 NR1H4 (0.39) NR1H4PPARDPPARA
SCHEMBL2770864 0.80 NR1H4 (0.39) NR1H4LNPEPPPARD
SCHEMBL16456773 0.79 NR1H4 (0.58) 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