SCHEMBL22959261

SCHEMBL22959261

COc1ccc(Oc2c(Cl)cc(Br)cc2Cl)cc1C(C)C

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 10/20 0.70
▸ RORC P51449 10/20 0.70
▸ THRA P10827 5/20 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
SCHEMBL281885 0.86 THRB (0.79) THRBRORCTHRA
SCHEMBL6818059 0.86 RORC (0.70) THRBRORCTHRA
SCHEMBL22959356 0.83 RORC (0.67) THRBRORCTHRA
SCHEMBL2169907 0.82 RORC (0.65) THRBRORCTHRA
SCHEMBL282442 0.82 THRB (1.00) THRBRORCTHRA
SCHEMBL7069261 0.82 THRB (0.77) THRBRORCTHRA
SCHEMBL5619231 0.81 THRB (0.73) THRBRORCTHRA
SCHEMBL23663148 0.81 THRB (0.46) THRBRORCTHRA
SCHEMBL5327698 0.80 RORC (0.62) THRBRORCTHRA
SCHEMBL282476 0.80 RORC (0.66) THRBRORCTHRA

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
Send feedback