SCHEMBL2762233

SCHEMBL2762233

CC(ON=Cc1cc(Br)c(Oc2ccc(O)c(COc3ccc(Cl)cc3)c2)c(Br)c1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRA P10827 12/20 0.39
THRB P10828 12/20 0.39
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PTGS2 P35354 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 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
SCHEMBL2169968 0.91 LMNA (0.40) THRATHRBMEN1LMNAMAPT
SCHEMBL2170341 0.87 THRA (0.44) THRATHRB
SCHEMBL2170345 0.87 THRA (0.44) THRATHRB
SCHEMBL2169361 0.83 THRB (0.41) THRATHRB
SCHEMBL16496562 0.83 THRB (0.41) THRATHRB
SCHEMBL2170237 0.83 THRA (0.47) THRATHRB
SCHEMBL2170241 0.83 THRA (0.47) THRATHRB
SCHEMBL2169463 0.82 THRA (0.45) THRATHRB
SCHEMBL2169479 0.80 THRA (0.61) THRATHRB
SCHEMBL16496522 0.80 THRA (0.61) THRATHRB

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-2010049946-A2 THYROID RECEPTOR LIGANDS CADILA HEALTHCARE LIMITED (IN) 2010-05-06 WO disclosed