SCHEMBL2773272

SCHEMBL2773272

Cc1cc(-c2ccc(OCc3c(C(C)C)cnn3-c3c(Cl)cccc3Cl)cc2C)ccc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 17/20 0.57
FFAR1 O14842 1/20 0.36

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
SCHEMBL2774467 0.95 NR1H4 (0.57) NR1H4FFAR1
SCHEMBL2771077 0.93 NR1H4 (0.55) NR1H4FFAR1
SCHEMBL2771697 0.92 NR1H4 (0.63) NR1H4
SCHEMBL2773861 0.91 NR1H4 (0.53) NR1H4
SCHEMBL2772894 0.89 NR1H4 (0.67) NR1H4
SCHEMBL2787707 0.89 NR1H4 (0.59) NR1H4
SCHEMBL2771727 0.88 NR1H4 (0.52) NR1H4
SCHEMBL2788558 0.88 NR1H4 (0.52) NR1H4
SCHEMBL2770495 0.88 NR1H4 (0.67) NR1H4
SCHEMBL2773377 0.88 NR1H4 (0.52) 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