SCHEMBL19738567

SCHEMBL19738567

N=C(/C(COc1ccc(C2(O)CNC2)c(Cl)c1)=C(\O)C1CC1)c1c(Cl)cccc1Cl

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 10/20 0.34
HSD17B13 Q7Z5P4 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
SCHEMBL19620260 0.81 NR1H4 (0.55) NR1H4HSD17B13
SCHEMBL24092280 0.81 NR1H4 (0.44) NR1H4HSD17B13
SCHEMBL19202366 0.81 NR1H4 (0.31) NR1H4
SCHEMBL18724807 0.80 NR1H4 (0.55) NR1H4HSD17B13
SCHEMBL19202542 0.80 NR1H4 (0.45) NR1H4HSD17B13
SCHEMBL19202445 0.78 NR1H4 (0.48) NR1H4HSD17B13
SCHEMBL19620264 0.78 NR1H4 (0.46) NR1H4HSD17B13
SCHEMBL19620275 0.78 NR1H4 (0.43) NR1H4HSD17B13
SCHEMBL19620271 0.78 NR1H4 (0.43) NR1H4HSD17B13
SCHEMBL19620247 0.78 NR1H4 (0.58) NR1H4HSD17B13

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
WO-2017218337-A1 FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2017-12-21 WO disclosed