SCHEMBL20094472

SCHEMBL20094472

CC(C)OCc1c(-c2c(Cl)cccc2Cl)noc1C(C)C

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.70
LIFR P42702 1/20 0.56
PPARD Q03181 1/20 0.56

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
SCHEMBL19499324 0.87 NR1H4 (0.72) NR1H4LIFRPPARD
SCHEMBL12168743 0.84 NR1H4 (0.67) NR1H4LIFRPPARD
SCHEMBL1179026 0.84 NR1H4 (0.67) NR1H4LIFRPPARD
SCHEMBL23773958 0.84 NR1H4 (0.67) NR1H4LIFRPPARD
SCHEMBL1097396 0.83 NR1H4 (0.66) NR1H4LIFRPPARD
SCHEMBL4610788 0.83 NR1H4 (0.66) NR1H4LIFRPPARD
SCHEMBL1096077 0.83 NR1H4 (0.70) NR1H4LIFRPPARD
SCHEMBL21340005 0.83 NR1H4 (0.66) NR1H4LIFRPPARD
SCHEMBL24425708 0.83 NR1H4 (1.00) NR1H4LIFRPPARD
SCHEMBL26965118 0.83 NR1H4 (0.66) NR1H4LIFRPPARD

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