SCHEMBL6187761

SCHEMBL6187761

CCN(c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C(C)C)cc1C)S(=O)(=O)c1ccccc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.57
NR1I2 O75469 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
LIFR P42702 3/20 0.54

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
SCHEMBL4435943 0.87 NR1H4 (0.66) NR1H4LIFR
SCHEMBL4433150 0.87 NR1H4 (0.66) NR1H4LIFR
SCHEMBL4831011 0.83 NR1H4 (0.67) NR1H4LIFR
SCHEMBL4840166 0.81 NR1H4 (0.68) NR1H4LIFR
SCHEMBL4422439 0.81 NR1H4 (0.68) NR1H4LIFR
SCHEMBL4628411 0.80 NR1H4 (0.69) NR1H4LIFR
SCHEMBL4840153 0.80 NR1H4 (0.66) NR1H4LIFR
SCHEMBL4427382 0.80 NR1H4 (0.69) NR1H4LIFR
SCHEMBL4877436 0.79 NR1H4 (0.58) NR1H4NR1I2CYP1A2CYP3A4CYP2C9
SCHEMBL4838752 0.79 NR1H4 (0.70) NR1H4LIFR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562915-A1 FARNESOID X RECEPTOR AGONISTS SmithKline Beecham Corporation (US) 2005-08-17 EP disclosed
WO-2004048349-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-06-10 WO disclosed