SCHEMBL7122041

SCHEMBL7122041

COC(=O)Cc1cc(Cl)c(Oc2ccc(NCc3ccccc3)cc2)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 7/20 0.51
THRA P10827 4/20 0.51
FFAR1 O14842 4/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
BCHE P06276 3/20 0.48
ACHE P22303 3/20 0.48
HIF1A Q16665 2/20 0.47
FFAR4 Q5NUL3 1/20 0.47
HPGD P15428 1/20 0.46
RORC P51449 1/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44

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
SCHEMBL5742868 0.86 THRB (0.57) THRBTHRARORC
SCHEMBL5859386 0.81 FFAR1 (0.64) THRBTHRAFFAR1CA1CA2
SCHEMBL3923780 0.79 THRA (0.55) THRBTHRAGAA
SCHEMBL5393176 0.78 THRB (0.57) THRBTHRARORC
SCHEMBL7114974 0.78 THRB (0.45) THRBTHRARORCMAPT
SCHEMBL7122312 0.76 RNF4 (0.47) THRBTHRARORC
SCHEMBL20236189 0.75 HPGD (0.59) FFAR1CA1CA2HIF1AFFAR4
SCHEMBL7122037 0.75 FFAR1 (0.43) THRBFFAR1CA1CA2BCHE
SCHEMBL3914044 0.75 THRA (0.50) THRBTHRAGAAMAPT
SCHEMBL5388207 0.74 THRB (0.49) THRBTHRAGAA

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-1358175-A2 PHENOXY SUBSTITUTED BENZOCONDENSED HETEROARYL DERIVATIVES AS THYROID RECEPTOR LIGANDS KARO BIO AB (SE) 2003-11-05 EP disclosed
WO-2002062780-A2 PHENOXY SUBSTITUTED BENZOCONDENSED HETEROARYL DERIVATIVES AS THYROID RECEPTOR LIGANDS KARO BIO AB (SE) 2002-08-15 WO disclosed