SCHEMBL16634616

SCHEMBL16634616

CC(C)(C)OC(=O)c1ccc(-n2c(=O)n(C(=O)c3c(Cl)cccc3C(F)(F)F)c3ccccc32)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RORC P51449 19/20 0.49
CYP2C9 P11712 3/20 0.47
PPARG P37231 3/20 0.41
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL16634697 0.89 RORC (0.51) RORCCYP2C9PPARGCYP3A4CYP2C19
SCHEMBL16634596 0.87 RORC (0.61) RORCCYP2C9PPARGCYP3A4CYP2C19
SCHEMBL16634653 0.87 RORC (0.60) RORCCYP2C9PPARGCYP3A4CYP2C19
SCHEMBL16634652 0.86 RORC (0.50) RORCCYP2C9PPARGCYP3A4CYP2C19
SCHEMBL16634706 0.82 RORC (0.48) RORCCYP2C9PPARGCYP3A4CYP2C19
SCHEMBL16634775 0.80 RORC (0.63) RORCCYP2C9PPARGCYP3A4CYP2C19
SCHEMBL16634781 0.78 RORC (0.55) RORCCYP2C9CYP3A4CYP2C19
SCHEMBL16634642 0.78 RORC (0.50) RORCCYP2C9PPARGCYP3A4
SCHEMBL16634647 0.77 RORC (0.54) RORCCYP2C9PPARGCYP3A4
SCHEMBL16634773 0.76 RORC (0.48) RORCCYP2C9PPARGCYP3A4CYP2C19

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-2015052675-A1 SUBSTITUTED DIHYDRO-BENZIMIDAZOLE COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-04-16 WO disclosed