SCHEMBL20003213

SCHEMBL20003213

C=CCN1CCC(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)([S+]([O-])c2ccc(F)cc2)C1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RORC P51449 20/20 0.67
NR1I2 O75469 1/20 0.49

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
SCHEMBL20002901 0.89 RORC (0.53) RORCNR1I2
SCHEMBL20002997 0.87 RORC (0.67) RORCNR1I2
SCHEMBL20002496 0.85 RORC (0.54) RORCNR1I2
SCHEMBL20002780 0.83 RORC (0.70) RORC
SCHEMBL20002881 0.83 RORC (0.70) RORC
SCHEMBL20002129 0.82 RORC (0.61) RORCNR1I2
SCHEMBL16886504 0.80 RORC (1.00) RORCNR1I2
SCHEMBL20002928 0.80 RORC (0.67) RORCNR1I2
SCHEMBL20002562 0.79 RORC (0.70) RORC
SCHEMBL20002528 0.79 RORC (0.70) 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
EP-3092229-B1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-03-28 EP disclosed