SCHEMBL7174069

SCHEMBL7174069

CC(C)C(=O)Nc1ccc(Oc2ccc(-c3cccc(C=CC(=O)O)c3)c(Cl)c2Cl)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.46
THRA P10827 6/20 0.46
RXRA P19793 1/20 0.36
NR4A2 P43354 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
PTPN11 Q06124 2/20 0.35
ALDH1A1 P00352 3/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
MTNR1B P49286 1/20 0.34
BACE1 P56817 1/20 0.34
MMP2 P08253 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL5388979 0.76 THRB (0.53) THRBTHRASMN1; SMN2TP53MAPT
Dichloroacetic Acid SCHEMBL7173116 0.73 THRA (0.56) THRBTHRAMAPTALDH1A1POLB
SCHEMBL5381973 0.70 THRB (0.48) THRBTHRASMN1; SMN2TP53MAPT
SCHEMBL5385273 0.69 THRB (0.54) THRBTHRASMN1; SMN2TP53MAPT
SCHEMBL5388975 0.68 THRB (0.65) THRBTHRASMN1; SMN2TP53MAPT
SCHEMBL5385275 0.65 THRA (0.58) THRBTHRAMAPTALDH1A1POLB
SCHEMBL7185064 0.65 PGR (0.37) THRBRXRANR4A2SMN1; SMN2ALDH1A1
SCHEMBL5388467 0.64 THRB (0.72) THRBTHRAHTTMTNR1BKDM4E
SCHEMBL5392866 0.63 THRA (1.00) THRBTHRA
SCHEMBL28503676 0.63 KDM4E (0.56) RXRANR4A2SMN1; SMN2MAPTALDH1A1

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-1296936-A1 THYROID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE IN THE TREATMENT OF DISORDERS INFLUENCED BY THYROID HORMONES KARO BIO AB (SE) 2003-04-02 EP disclosed
WO-2001098256-A1 THYROID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE IN THE TREATMENT OF DISORDERS INFLUENCED BY THYROID HORMONES KARO BIO AB (SE) 2001-12-27 WO disclosed