SCHEMBL4963302

SCHEMBL4963302

Cc1cc(NC(=O)CC(=O)O)cc(Cl)c1Oc1cccc(S(=O)(=O)CC2CCCCC2)c1O

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 7/20 0.70
THRA P10827 6/20 0.70
ALDH1A1 P00352 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
EPHX2 P34913 1/20 0.36
POLB P06746 1/20 0.36
ATM Q13315 1/20 0.36
P2RX4 Q99571 1/20 0.36
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
RORC P51449 2/20 0.35
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL4962620 0.88 THRA (0.63) THRBTHRAALDH1A1L3MBTL1MEN1
SCHEMBL1642151 0.85 THRB (0.95) THRBTHRA
SCHEMBL1642271 0.84 THRB (0.97) THRBTHRA
SCHEMBL1640812 0.82 THRB (1.00) THRBTHRA
SCHEMBL1641890 0.80 THRB (0.93) THRBTHRAEPHX2
SCHEMBL1640576 0.78 THRB (0.84) THRBTHRA
SCHEMBL4965254 0.78 THRB (0.84) THRBTHRAEPHX2
SCHEMBL4968443 0.77 THRB (0.85) THRBTHRAEPHX2
SCHEMBL1640560 0.77 THRB (0.85) THRBTHRA
SCHEMBL1640362 0.75 THRB (0.79) 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
EP-1268404-B1 MALONAMIC ACIDS AND DERIVATIVES THEREOF AS THYROID RECEPTOR LIGANDS PFIZER PROD INC (US) 2008-01-02 EP disclosed