SCHEMBL7208855

SCHEMBL7208855

CCCCCCCCCNC(=O)c1cc(Oc2c(Cl)cc(NC(=O)CC(=O)O)cc2Cl)ccc1O.CCCCCCCCCNC(=O)c1cc(Oc2c(Cl)cc(NC(=O)CC(=O)OC)cc2Cl)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 10/20 0.49
NAAA Q02083 1/20 0.47
THRA P10827 9/20 0.47
EPHX1 P07099 3/20 0.43
EPHX2 P34913 3/20 0.43
EGFR P00533 2/20 0.42
SYK P43405 1/20 0.42
ALOX5 P09917 1/20 0.42
PTGS2 P35354 1/20 0.42

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
SCHEMBL4962625 0.96 NAAA (0.50) THRBNAAATHRAEPHX1EPHX2
SCHEMBL4965301 0.96 THRB (0.53) THRBNAAATHRAEPHX1EPHX2
SCHEMBL4962612 0.96 THRB (0.53) THRBNAAATHRAEPHX1EPHX2
SCHEMBL4964553 0.92 THRB (0.55) THRBNAAATHRAEPHX1EPHX2
SCHEMBL4961549 0.80 NAAA (0.57) THRBNAAATHRAEGFRSYK
SCHEMBL4963095 0.80 THRB (0.54) THRBTHRAEPHX1EPHX2
SCHEMBL4962115 0.79 THRB (0.55) THRBTHRAEPHX1EPHX2
SCHEMBL6661525 0.78 THRB (0.53) THRBNAAATHRAEPHX2EGFR
SCHEMBL4963239 0.78 THRA (0.55) THRBTHRAEPHX1EPHX2
SCHEMBL4962544 0.77 NAAA (0.53) THRBNAAATHRAEGFRSYK

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
EP-1268404-A1 MALONAMIC ACIDS AND DERIVATIVES THEREOF AS THYROID RECEPTOR LIGANDS Pfizer Products Inc. (US) 2003-01-02 EP disclosed
WO-2001072692-A1 MALONAMIC ACIDS AND DERIVATIVES THEREOF AS THYROID RECEPTOR LIGANDS PFIZER PRODUCTS INC. (US) 2001-10-04 WO disclosed