SCHEMBL7074178

SCHEMBL7074178

O=C(O)Cc1cc(Cl)c(O)c(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.53
THRB P10828 16/20 0.53
THRA P10827 15/20 0.52
PPARG P37231 1/20 0.47
PTPN1 P18031 1/20 0.44
KDM4E B2RXH2 1/20 0.40
RGS12 O14924 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
APEX1 P27695 1/20 0.40
THPO P40225 1/20 0.40
BLM P54132 1/20 0.40
GNAI1 P63096 1/20 0.40
PMP22 Q01453 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL5801817 0.86 CA2 (0.62) CA2THRBTHRAPPARGKDM4E
SCHEMBL5858355 0.86 THRB (0.56) CA2THRBTHRAPPARGPTPN1
SCHEMBL3941496 0.83 THRB (0.54) CA2THRBTHRAPPARG
SCHEMBL28118607 0.81 GAA (0.52) CA2THRBTHRAPPARGPTPN1
SCHEMBL11153488 0.81 CA2 (0.61) CA2THRBTHRAKDM4ERGS12
SCHEMBL7073645 0.80 HSP90AB1 (0.54) CA2THRBTHRAPPARGKDM4E
SCHEMBL8822860 0.78 PTPN1 (0.52) CA2THRBPTPN1LMNAPOLB
SCHEMBL15026095 0.78 THRB (0.53) CA2THRBTHRAPPARGPTPN1
SCHEMBL2922404 0.78 CA2 (0.53) CA2THRBTHRAPPARGKDM4E
SCHEMBL7643075 0.78 THRB (0.57) CA2THRBTHRAPPARGKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000008-B1 NOVEL THYROID RECEPTOR LIGANDS AND METHOD KAROBIO AB (SE) 2003-06-25 EP disclosed
US-6465687-B1 SUBSTITUTED 4-HYDROXY-3-ALKYL- OR CYCLOALKYL-PHENOXYBENZENE COMPOUNDS SUCH AS 3,5-DIBROMO-4-(4-HYDROXY-3-ISOPROPYLPHENOXY)BENZOIC ACID, EXPRESSION INHIBITION OF A T3 REGULATED GENE KARO BIO AB (SE) 2002-10-15 US disclosed
EP-1000008-A1 NOVEL THYROID RECEPTOR LIGANDS AND METHOD KARO BIO AB (SE) 2000-05-17 EP disclosed
WO-1999000353-A1 NOVEL THYROID RECEPTOR LIGANDS AND METHOD KARO BIO AB (SE) 1999-01-07 WO disclosed