SCHEMBL3780490

SCHEMBL3780490

COc1ccc(Oc2c(Cl)cc(N(CC(=O)O)C(=O)Nc3ccccc3)cc2Cl)cc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 11/20 0.45
THRA P10827 8/20 0.45
RORC P51449 3/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
EPHX1 P07099 3/20 0.41
EPHX2 P34913 3/20 0.41
PDE4D Q08499 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 2/20 0.39

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
SCHEMBL3784791 0.89 THRA (0.41) THRBTHRAKMT2AMEN1ALDH1A1
SCHEMBL3705284 0.88 THRB (0.44) THRBTHRARORCALDH1A1KDM4E
SCHEMBL3710195 0.88 THRB (0.60) THRBTHRAEPHX1EPHX2
SCHEMBL3803418 0.83 THRB (0.44) THRBTHRARORCKMT2AALDH1A1
SCHEMBL3812541 0.80 THRB (0.44) THRBTHRARORCKMT2AMEN1
SCHEMBL3714422 0.80 THRB (0.44) THRBTHRA
SCHEMBL3702776 0.79 THRB (0.58) THRBTHRARORC
SCHEMBL3226580 0.78 THRB (0.42) THRBTHRARORCKMT2AALDH1A1
SCHEMBL3707379 0.77 RORC (0.57) THRBTHRARORC
SCHEMBL3782122 0.77 THRB (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010086878-A2 THYROID RECEPTOR MODULATORS CADILA HEALTHCARE LIMITED (IN) 2010-08-05 WO claimed
WO-2010086878-A2 THYROID RECEPTOR MODULATORS CADILA HEALTHCARE LIMITED (IN) 2010-08-05 WO disclosed