SCHEMBL17848920

SCHEMBL17848920

Clc1cccc(Cl)c1-c1noc(C2CC2)c1COC1CC2CC[C@@H](C1)C21OCCO1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.54
FABP1 P07148 1/20 0.48

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
SCHEMBL17839407 1.00 NR1H4 (0.54) NR1H4FABP1
SCHEMBL22662906 1.00 NR1H4 (0.54) NR1H4FABP1
SCHEMBL17839406 1.00 NR1H4 (0.54) NR1H4FABP1
SCHEMBL17856090 0.93 NR1H4 (0.58) NR1H4FABP1
SCHEMBL17839449 0.93 NR1H4 (0.58) NR1H4FABP1
SCHEMBL17839753 0.90 NR1H4 (0.45) NR1H4
SCHEMBL17856078 0.90 NR1H4 (0.45) NR1H4
SCHEMBL17848923 0.90 NR1H4 (0.45) NR1H4
SCHEMBL17839790 0.89 TDP1 (0.46) NR1H4
SCHEMBL17839792 0.89 TDP1 (0.46) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233850-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS Gilead Sciences, Inc. (US) 2017-10-25 EP disclosed
WO-2016096115-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-06-23 WO disclosed