SCHEMBL16891743

SCHEMBL16891743

O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)CCC1

nearest known ligand 0.95

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RORC P51449 20/20 0.95
NR1I2 O75469 9/20 0.95
NR1H3 Q13133 1/20 0.72

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
SCHEMBL16880323 0.97 RORC (1.00) RORCNR1I2NR1H3
SCHEMBL16888206 0.96 RORC (0.97) RORCNR1I2NR1H3
SCHEMBL18204942 0.88 RORC (0.78) RORCNR1I2NR1H3
SCHEMBL16888318 0.88 RORC (0.78) RORCNR1I2NR1H3
SCHEMBL18204929 0.87 RORC (0.76) RORCNR1I2NR1H3
Hydrochloric Acid SCHEMBL16876961 0.87 RORC (0.76) RORCNR1I2NR1H3
SCHEMBL19129014 0.87 RORC (0.76) RORCNR1I2NR1H3
SCHEMBL16888269 0.87 RORC (0.76) RORCNR1I2NR1H3
SCHEMBL16891685 0.85 RORC (1.00) RORCNR1I2
SCHEMBL16880281 0.85 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015103508-A1 CARBOCYCLIC SULFONE RORγ MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-09 WO disclosed