SCHEMBL22959351

SCHEMBL22959351

CC(C)c1cc(Oc2c(Cl)cc(N)cc2Cl)ccc1Br

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 12/20 0.48
▸ THRA P10827 11/20 0.48
▸ RORC P51449 1/20 0.47

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
SCHEMBL6818059 0.81 RORC (0.70) THRBTHRARORC
SCHEMBL22959352 0.78 THRB (0.52) THRBTHRARORC
SCHEMBL8892802 0.77 THRB (0.48) THRBTHRARORC
SCHEMBL22959367 0.76 THRB (0.49) THRBTHRARORC
SCHEMBL2044734 0.75 THRA (0.71) THRBTHRA
SCHEMBL6512367 0.74 THRB (0.63) THRBTHRARORC
SCHEMBL8893247 0.73 THRB (0.57) THRBTHRARORC
SCHEMBL5324895 0.73 THRB (0.54) THRBTHRARORC
SCHEMBL22959261 0.72 THRB (0.70) THRBTHRARORC
SCHEMBL11031583 0.72 MAPT (0.48) THRBTHRA

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-2021026179-A1 AGONISTS OF ROR GAMMAt BRISTOL-MYERS SQUIBB COMPANY (US) 2021-02-11 — — WO disclosed
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