SCHEMBL4598917

SCHEMBL4598917

CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(CNS(=O)(=O)c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.76
LIFR P42702 3/20 0.76
PPARD Q03181 3/20 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
SCHEMBL4665677 0.93 NR1H4 (0.78) NR1H4LIFRPPARD
SCHEMBL4421561 0.88 NR1H4 (0.78) NR1H4LIFRPPARD
SCHEMBL28524554 0.87 NR1H4 (1.00) NR1H4LIFRPPARD
SCHEMBL21624446 0.87 NR1H4 (1.00) NR1H4LIFRPPARD
SCHEMBL4435997 0.85 NR1H4 (0.71) NR1H4LIFR
SCHEMBL30080655 0.84 NR1H4 (0.94) NR1H4LIFRPPARD
SCHEMBL30080745 0.84 NR1H4 (0.94) NR1H4LIFRPPARD
SCHEMBL10072267 0.84 NR1H4 (0.94) NR1H4LIFRPPARD
SCHEMBL4427073 0.83 NR1H4 (0.69) NR1H4LIFR
SCHEMBL4427551 0.83 NR1H4 (0.77) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885694-A2 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES Microbia, Inc. (US) 2008-02-13 EP disclosed
EP-1877373-A2 BIPHENYLAZETIDINONE CHOLESTEROL ABSORPTION INHIBITORS 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-2006121861-A2 BIPHENYLAZETIDINONE CHOLESTEROL ABSORPTION INHIBITORS MICROBIA, INC. (US) 2006-11-16 WO disclosed