SCHEMBL5722503

SCHEMBL5722503

Cc1cc(COc2c(Br)cc(NC(=O)CC(=O)O)cc2Br)cc(NS(C)(=O)=O)c1.Cc1cc(COc2c(C)cc(NC(=O)CC(=O)O)cc2C)cc(NS(C)(=O)=O)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRA P10827 8/20 0.39
THRB P10828 8/20 0.39
DHODH Q02127 2/20 0.37
ALDH1A1 P00352 1/20 0.37
ACP1 P24666 1/20 0.36
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 3/20 0.34
PTPN1 P18031 1/20 0.34
NPC1 O15118 1/20 0.33

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
SCHEMBL5109436 0.96 THRB (0.42) THRATHRBDHODHACP1KMT2A
SCHEMBL5117180 0.94 ALDH1A1 (0.41) THRATHRBALDH1A1LMNAMAPT
SCHEMBL5722509 0.91 ALDH1A1 (0.36) THRATHRBDHODHALDH1A1ACP1
SCHEMBL5117744 0.87 THRB (0.41) THRATHRBDHODHALDH1A1ACP1
SCHEMBL5723101 0.87 THRA (0.40) THRATHRBALDH1A1ACP1KDM4E
SCHEMBL5109706 0.85 THRA (0.41) THRATHRBDHODHALDH1A1ACP1
SCHEMBL5119963 0.85 GRIN1 (0.41) THRATHRBKMT2APOLBNPC1
SCHEMBL5110513 0.85 ALDH1A1 (0.40) THRATHRBALDH1A1ACP1KDM4E
SCHEMBL5118488 0.84 ALDH1A1 (0.43) THRATHRBALDH1A1LMNAMAPT
SCHEMBL5107398 0.83 THRB (0.45) THRATHRBDHODHACP1USP2

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-1732532-A1 NOVEL PHARMACEUTICAL COMPOSITIONS COMPRISING AGONISTS OF THE THYROID RECEPTOR KARO BIO AB (SE) 2006-12-20 EP disclosed
WO-2005092316-A1 NOVEL PHARMACEUTICAL COMPOSITIONS COMPRISING AGONISTS OF THE THYROID RECEPTOR KARO BIO AB (SE) 2005-10-06 WO disclosed