SCHEMBL6553089

SCHEMBL6553089

CCN(CC)CC.Cc1cc(Cl)cc(Cl)c1Oc1c(Br)cc(CC(N)C(=O)O)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 0.46
THRA P10827 5/20 0.46
PPARG P37231 2/20 0.46
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.38
TTR P02766 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
PDE4D Q08499 2/20 0.38
HSD17B10 Q99714 2/20 0.38
NR3C1 P04150 1/20 0.38
CYP1A2 P05177 1/20 0.38
HTR1A P08908 1/20 0.38
CYP2C9 P11712 1/20 0.38
TBXA2R P21731 1/20 0.38
NTSR1 P30989 1/20 0.38
HTR2B P41595 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL4816034 0.81 THRB (0.47) THRBTHRAPPARGMEN1KMT2A
SCHEMBL4808835 0.75 THRA (0.56) THRBTHRAPPARGMEN1KMT2A
SCHEMBL4815513 0.75 SLC1A5 (0.49) THRBTHRAPPARGMEN1KMT2A
SCHEMBL4809817 0.73 THRB (0.46) THRBTHRAPPARGMEN1KMT2A
SCHEMBL4809557 0.72 THRA (0.45) THRBTHRAPPARGMEN1KMT2A
SCHEMBL4818118 0.72 THRB (0.50) THRBTHRAPPARGMEN1KMT2A
SCHEMBL4809115 0.71 THRB (0.41) THRBTHRAPPARGMEN1KMT2A
SCHEMBL4810919 0.70 THRA (0.50) THRBTHRAPPARGNR3C1PGR
SCHEMBL4812514 0.70 SLC1A5 (0.47) THRBTHRAPPARGSLC7A5PDCD1
Hydrochloric Acid SCHEMBL3963272 0.69 THRB (0.59) THRBTHRAPPARGMEN1KMT2A

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-1387825-A1 THYROID HORMONE RECEPTOR ANTAGONISTS FOR CARDIAC & METABOLIC DISORDERS II KARO BIO AB (SE) 2004-02-11 EP disclosed
WO-2002092550-A1 THYROID HORMONE RECEPTOR ANTAGONISTS FOR CARDIAC AND METABOLIC DISORDERS II KARO BIO AB (SE) 2002-11-21 WO disclosed