SCHEMBL19230799

SCHEMBL19230799

BCc1c(-c2c(Cl)cccc2Cl)noc1C1CC1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.54
FABP1 P07148 8/20 0.54
FABP4 P15090 1/20 0.52
HSD17B13 Q7Z5P4 1/20 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
SCHEMBL12168747 0.87 NR1H4 (0.55) NR1H4FABP1FABP4HSD17B13
SCHEMBL12168749 0.87 NR1H4 (0.55) NR1H4FABP1FABP4HSD17B13
SCHEMBL1096115 0.86 NR1H4 (0.58) NR1H4FABP1FABP4HSD17B13
SCHEMBL21161321 0.86 NR1H4 (0.54) NR1H4FABP1FABP4HSD17B13
SCHEMBL1097035 0.86 NR1H4 (0.54) NR1H4FABP1FABP4HSD17B13
SCHEMBL19230585 0.86 NR1H4 (0.54) NR1H4FABP1FABP4HSD17B13
SCHEMBL12168746 0.83 NR1H4 (0.52) NR1H4FABP1FABP4HSD17B13
SCHEMBL23114349 0.82 NR1H4 (0.54) NR1H4FABP1FABP4HSD17B13
SCHEMBL22789944 0.82 NR1H4 (0.53) NR1H4FABP1FABP4HSD17B13
SCHEMBL21339992 0.82 NR1H4 (0.54) NR1H4FABP1FABP4HSD17B13

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-2017133521-A1 FXR RECEPTOR AGONIST 山东轩竹医药科技有限公司 2017-08-10 WO disclosed