SCHEMBL3159291

SCHEMBL3159291

Cc1cc(OCc2c(C(C)C)nnn2-c2ccccc2OC(F)(F)F)ccc1/C=C/c1cccc(C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.61

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
SCHEMBL3159296 1.00 NR1H4 (0.61) NR1H4
SCHEMBL3159467 0.90 NR1H4 (0.63) NR1H4
SCHEMBL3159473 0.90 NR1H4 (0.63) NR1H4
SCHEMBL2772913 0.88 NR1H4 (0.62) NR1H4
SCHEMBL2772915 0.88 NR1H4 (0.62) NR1H4
SCHEMBL498384 0.83 NR1H4 (0.44) NR1H4
SCHEMBL3149710 0.83 NR1H4 (0.46) NR1H4
SCHEMBL10157975 0.83 NR1H4 (0.88) NR1H4
SCHEMBL498383 0.82 NR1H4 (0.43) NR1H4
SCHEMBL3164111 0.81 NR1H4 (0.79) 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-2029558-B1 COMPOUNDS AND METHODS FOR MODULATING FXR LILLY CO ELI (US) 2010-03-10 EP disclosed