SCHEMBL14744113

SCHEMBL14744113

CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3Oc3ccccc3Cl)c(Cl)c2)cc1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RORC P51449 20/20 0.81
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61

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
SCHEMBL14746788 0.91 RORC (0.77) RORCCYP2C9CYP2C19
SCHEMBL14746619 0.90 RORC (1.00) RORC
SCHEMBL14744100 0.88 RORC (0.72) RORCCYP2C9CYP2C19
SCHEMBL14747180 0.88 RORC (1.00) RORCCYP2C9CYP2C19
SCHEMBL14754282 0.87 RORC (0.75) RORCCYP2C9CYP2C19
SCHEMBL14744190 0.87 RORC (1.00) RORCCYP2C9CYP2C19
SCHEMBL14744469 0.87 RORC (0.75) RORCCYP2C9CYP2C19
SCHEMBL14746553 0.86 RORC (0.80) RORCCYP2C9CYP2C19
SCHEMBL14746810 0.85 RORC (0.80) RORCCYP2C9CYP2C19
SCHEMBL15391899 0.85 RORC (0.68) RORC

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
WO-2013029338-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-03-07 WO disclosed
WO-2013029338-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-03-07 WO disclosed