SCHEMBL19129018

SCHEMBL19129018

O=S(=O)(c1ccccc1)C1(c2ccc(C(Oc3ccccc3)(C(F)(F)F)C(F)(F)F)cc2)CCCCC1

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RORC P51449 20/20 0.85
NR1I2 O75469 6/20 0.85

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
SCHEMBL16891873 0.92 RORC (1.00) RORCNR1I2
SCHEMBL16891734 0.86 RORC (1.00) RORCNR1I2
SCHEMBL19128925 0.82 RORC (0.76) RORCNR1I2
SCHEMBL18204879 0.81 RORC (0.88) RORCNR1I2
SCHEMBL16891732 0.81 RORC (1.00) RORCNR1I2
SCHEMBL19129007 0.80 RORC (0.97) RORCNR1I2
SCHEMBL16891705 0.80 RORC (1.00) RORCNR1I2
SCHEMBL16891722 0.80 RORC (1.00) RORCNR1I2
SCHEMBL16891685 0.79 RORC (1.00) RORCNR1I2
SCHEMBL16891703 0.79 RORC (1.00) RORCNR1I2

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
US-9708253-B2 Cyclohexyl sulfone RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-18 US disclosed
US-9708253-B2 Cyclohexyl sulfone RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-18 US disclosed