SCHEMBL16564796

SCHEMBL16564796

CCCCOC(=O)CC1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 20/20 0.72
▸ NR1I2 O75469 3/20 0.68
▸ NR1H3 Q13133 2/20 0.68

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
SCHEMBL16564677 1.00 RORC (0.72) RORCNR1I2NR1H3
SCHEMBL16564682 1.00 RORC (0.72) RORCNR1I2NR1H3
SCHEMBL18197140 0.91 RORC (0.61) RORCNR1I2NR1H3
SCHEMBL18013076 0.91 RORC (0.61) RORCNR1I2NR1H3
SCHEMBL16586583 0.86 RORC (0.79) RORCNR1I2NR1H3
SCHEMBL16564696 0.86 RORC (0.79) RORCNR1I2NR1H3
SCHEMBL18896616 0.85 RORC (0.87) RORC
SCHEMBL16553718 0.85 RORC (0.87) RORC
SCHEMBL18896617 0.85 RORC (0.87) RORC
SCHEMBL16553681 0.85 RORC (0.82) RORCNR1I2NR1H3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3046906-B1 ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2017-08-16 — — EP disclosed
WO-2015042212-A1 RORγ MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-26 — — WO disclosed
WO-2015035278-A1 RORγ MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-12 — — WO disclosed
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