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SCHEMBL14744003

SCHEMBL14744003

CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3OC(F)(F)F)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 20/20 1.00
▸ CYP2C9 P11712 1/20 0.73
▸ CYP2C19 P33261 1/20 0.73

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
SCHEMBL14754214 0.91 RORC (0.82) RORCCYP2C9CYP2C19
SCHEMBL14754219 0.89 RORC (0.82) RORCCYP2C9CYP2C19
SCHEMBL14744070 0.87 RORC (0.77) RORC
SCHEMBL14744527 0.87 RORC (0.81) RORCCYP2C9CYP2C19
SCHEMBL14746830 0.87 RORC (0.80) RORCCYP2C9CYP2C19
SCHEMBL14754265 0.86 RORC (1.00) RORCCYP2C9CYP2C19
SCHEMBL14754199 0.86 RORC (0.83) RORCCYP2C9CYP2C19
SCHEMBL14746682 0.86 RORC (1.00) RORCCYP2C9CYP2C19
SCHEMBL14744257 0.86 RORC (0.83) RORCCYP2C9CYP2C19
SCHEMBL14746750 0.86 RORC (0.83) RORCCYP2C9CYP2C19

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