SCHEMBL20002809

SCHEMBL20002809

[O-][S+](c1ccc(F)cc1)C1(c2ccc(C(OCc3ccccc3)(C(F)(F)F)C(F)(F)F)cc2)CCN(Cc2ccccc2)C1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RORC P51449 20/20 0.65
NR1I2 O75469 1/20 0.51

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
SCHEMBL20002997 0.92 RORC (0.67) RORCNR1I2
SCHEMBL20003216 0.87 RORC (0.61) RORCNR1I2
SCHEMBL20002279 0.81 RORC (0.46) RORC
SCHEMBL20002901 0.81 RORC (0.53) RORCNR1I2
SCHEMBL20003149 0.79 RORC (0.57) RORCNR1I2
SCHEMBL20003213 0.79 RORC (0.67) RORCNR1I2
SCHEMBL16875156 0.79 RORC (1.00) RORCNR1I2
SCHEMBL16875231 0.79 RORC (1.00) RORCNR1I2
SCHEMBL16875161 0.79 RORC (1.00) RORCNR1I2
SCHEMBL20002904 0.78 RORC (0.70) RORC

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
EP-3092229-B1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-03-28 EP disclosed