SCHEMBL4683956

SCHEMBL4683956

COC(=O)c1ccc(Nc2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C(C)C)cc2)cc1

nearest known ligand 0.91

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.91
LIFR P42702 3/20 0.69
PPARD Q03181 2/20 0.64

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
SCHEMBL28530824 0.95 NR1H4 (1.00) NR1H4LIFRPPARD
SCHEMBL28529145 0.91 NR1H4 (1.00) NR1H4LIFRPPARD
SCHEMBL4831057 0.89 NR1H4 (0.80) NR1H4LIFRPPARD
SCHEMBL4435961 0.88 NR1H4 (0.86) NR1H4LIFRPPARD
SCHEMBL2811507 0.88 NR1H4 (0.72) NR1H4LIFRPPARD
SCHEMBL21624441 0.85 NR1H4 (1.00) NR1H4LIFR
SCHEMBL21624442 0.85 NR1H4 (1.00) NR1H4LIFR
SCHEMBL21624446 0.85 NR1H4 (1.00) NR1H4LIFRPPARD
SCHEMBL2114524 0.85 NR1H4 (0.85) NR1H4LIFR
SCHEMBL28530762 0.84 NR1H4 (1.00) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008039829-A2 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-04-03 WO disclosed
EP-1885694-A2 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES Microbia, Inc. (US) 2008-02-13 EP disclosed
EP-1877067-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONE GLUCURONIDE DERIVATIVES FOR HYPERCHOLESTEROLEMIA Microbia, Inc. (US) 2008-01-16 EP disclosed
WO-2006124713-A2 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES MICROBIA, INC. (US) 2006-11-23 WO disclosed
WO-2006116499-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONE GLUCURONIDE DERIVATIVES FOR HYPERCHOLESTEROLEMIA MICROBIA, INC. (US) 2006-11-02 WO disclosed