SCHEMBL20149018

SCHEMBL20149018

C[C@]1(c2ccc(F)cc2)CC(O)C[C@H]1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RORC P51449 20/20 0.63
NR1I2 O75469 7/20 0.50

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
SCHEMBL20139578 0.78 RORC (0.80) RORCNR1I2
SCHEMBL20148964 0.78 RORC (0.80) RORCNR1I2
SCHEMBL20140451 0.77 RORC (1.00) RORCNR1I2
SCHEMBL20140250 0.77 RORC (1.00) RORCNR1I2
SCHEMBL23713038 0.74 RORC (0.82) RORCNR1I2
SCHEMBL20149115 0.73 RORC (0.63) RORCNR1I2
SCHEMBL20148998 0.73 RORC (0.63) RORCNR1I2
Trifluoroacetic Acid SCHEMBL20140496 0.73 RORC (0.74) RORCNR1I2
SCHEMBL23712994 0.70 RORC (1.00) RORCNR1I2
SCHEMBL23683620 0.70 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-2018089406-A1 ROR GAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed