SCHEMBL20094441

SCHEMBL20094441

OC(O)OCc1c(-c2c(Cl)cccc2Cl)noc1C1CC1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.60
FABP1 P07148 6/20 0.59
FABP4 P15090 1/20 0.57
HSD17B13 Q7Z5P4 1/20 0.55

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
SCHEMBL19628515 0.84 NR1H4 (0.59) NR1H4FABP1FABP4HSD17B13
SCHEMBL19230549 0.83 NR1H4 (0.58) NR1H4FABP1FABP4HSD17B13
SCHEMBL1096115 0.82 NR1H4 (0.58) NR1H4FABP1FABP4HSD17B13
SCHEMBL21912462 0.81 NR1H4 (0.57) NR1H4FABP1FABP4HSD17B13
SCHEMBL20419570 0.81 NR1H4 (0.57) NR1H4FABP1FABP4HSD17B13
SCHEMBL22789950 0.81 NR1H4 (0.55) NR1H4FABP1FABP4HSD17B13
SCHEMBL29345034 0.81 NR1H4 (0.62) NR1H4FABP1FABP4HSD17B13
SCHEMBL28416415 0.81 NR1H4 (0.62) NR1H4FABP1FABP4HSD17B13
SCHEMBL21703707 0.81 NR1H4 (0.62) NR1H4FABP1FABP4HSD17B13
SCHEMBL21264346 0.81 NR1H4 (0.62) 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-2018075207-A1 HETEROCYCLIC FXR MODULATORS HEPAGENE THERAPEUTICS, INC. (VG) 2018-04-26 WO disclosed