SCHEMBL22660400

SCHEMBL22660400

CC(C)c1cc(Oc2c(Cl)cc(NC(=O)C3(C(=O)O)CC3)cc2Cl)nnc1Cl

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 17/20 0.48
▸ THRA P10827 13/20 0.48
▸ RORC P51449 2/20 0.36

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
SCHEMBL22660331 0.91 THRB (0.45) THRBTHRARORC
SCHEMBL22660361 0.85 THRB (0.46) THRBTHRARORC
SCHEMBL22660360 0.84 THRB (0.44) THRBTHRARORC
SCHEMBL22668180 0.83 THRB (0.71) THRBTHRA
SCHEMBL2921895 0.82 THRA (0.67) THRBTHRA
SCHEMBL22668330 0.81 THRB (0.51) THRBTHRARORC
SCHEMBL2925463 0.79 THRB (0.54) THRBTHRARORC
SCHEMBL28500041 0.79 THRB (0.49) THRBTHRARORC
SCHEMBL28564400 0.78 THRB (0.48) THRBTHRARORC
SCHEMBL28489632 0.77 THRB (0.45) THRBTHRARORC

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-2020228577-A1 PYRIDAZINONE DERIVATIVE AND USE THEREOF 深圳微芯生物科技股份有限公司 2020-11-19 — — WO disclosed
Send feedback