SCHEMBL17848909

SCHEMBL17848909

O=C1C2CC[C@H]1CC(OCc1c(-c3c(Cl)cncc3Cl)noc1C1CC1)C2

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.50

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
SCHEMBL17848910 1.00 NR1H4 (0.50) NR1H4
SCHEMBL17839966 1.00 NR1H4 (0.50) NR1H4
SCHEMBL17856092 1.00 NR1H4 (0.50) NR1H4
SCHEMBL17839969 1.00 NR1H4 (0.50) NR1H4
SCHEMBL17839527 0.89 NR1H4 (0.58) NR1H4
SCHEMBL17848861 0.89 NR1H4 (0.58) NR1H4
SCHEMBL22663041 0.89 NR1H4 (0.58) NR1H4
SCHEMBL22654739 0.89 NR1H4 (0.58) NR1H4
SCHEMBL17839525 0.89 NR1H4 (0.58) NR1H4
SCHEMBL17848893 0.89 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 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