SCHEMBL19129014

SCHEMBL19129014

N[C@H]1CC[C@](c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RORC P51449 20/20 0.76
NR1I2 O75469 6/20 0.76
NR1H3 Q13133 1/20 0.65

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
SCHEMBL16888269 1.00 RORC (0.76) RORCNR1I2NR1H3
SCHEMBL18204929 1.00 RORC (0.76) RORCNR1I2NR1H3
SCHEMBL18204897 0.93 RORC (0.78) RORCNR1I2NR1H3
SCHEMBL18204872 0.88 RORC (0.80) RORCNR1I2NR1H3
SCHEMBL16891742 0.88 RORC (0.80) RORCNR1I2NR1H3
SCHEMBL18213858 0.88 RORC (0.80) RORCNR1I2NR1H3
SCHEMBL16888273 0.88 RORC (0.75) RORCNR1I2
SCHEMBL18204928 0.88 RORC (0.75) RORCNR1I2
Hydrochloric Acid SCHEMBL18204937 0.87 RORC (0.73) RORCNR1I2
Hydrochloric Acid SCHEMBL16876991 0.87 RORC (0.73) 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