SCHEMBL3708450

SCHEMBL3708450

CCC(C(=O)N(CC(=O)O)c1cc(Cl)c(Oc2ccc(OC)c(Cc3ccccc3)c2)c(Cl)c1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.43
RORC P51449 4/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
THRA P10827 4/20 0.35

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
SCHEMBL3715369 0.86 THRB (0.55) THRBRORCMEN1KMT2ALMNA
SCHEMBL3224353 0.78 THRB (0.41) THRBRORCMEN1KMT2ALMNA
SCHEMBL3708448 0.78 THRB (0.45) THRBRORCMEN1KMT2ALMNA
SCHEMBL3701809 0.77 THRB (0.40) THRBRORCMEN1KMT2ALMNA
SCHEMBL3221169 0.76 THRB (0.39) THRBRORCMEN1KMT2ALMNA
SCHEMBL3226704 0.73 THRB (0.43) THRBMEN1KMT2ATHRA
SCHEMBL3814388 0.73 ALDH1A1 (0.39) THRBRORCMEN1KMT2AMAPT
SCHEMBL16496798 0.72 CYP1A2 (0.46) THRBRORCMEN1KMT2AMAPT
SCHEMBL18932876 0.72 THRB (0.45) THRBRORCMEN1KMT2AALDH1A1
SCHEMBL18932867 0.72 MAPT (0.46) THRBRORCMEN1KMT2ALMNA

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