SCHEMBL5859386

SCHEMBL5859386

CC(C(=O)O)c1cc(Cl)c(Oc2ccc(NCc3ccccc3)cc2)c(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.64
PPARG P37231 2/20 0.49
PPARA Q07869 2/20 0.49
FFAR4 Q5NUL3 2/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
BCHE P06276 2/20 0.45
ACHE P22303 2/20 0.45
THRB P10828 2/20 0.45
RORC P51449 1/20 0.45
HIF1A Q16665 3/20 0.44
PTGS1 P23219 1/20 0.43
GNA15 P30679 1/20 0.43
PTGER3 P43115 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
THRA P10827 1/20 0.43

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
SCHEMBL7122041 0.81 THRB (0.51) FFAR1PPARGPPARAFFAR4CA1
SCHEMBL5381972 0.79 MTNR1B (0.50) THRBRORCPTGS1THRA
SCHEMBL11804605 0.79 FFAR1 (0.71) FFAR1PPARGPPARAFFAR4CA1
SCHEMBL17455196 0.78 FFAR1 (1.00) FFAR1FFAR4HIF1APTGS1GNA15
SCHEMBL30924433 0.78 FFAR1 (1.00) FFAR1FFAR4HIF1APTGS1GNA15
SCHEMBL5858200 0.76 PTGS1 (0.46) THRBPTGS1THRA
SCHEMBL5859476 0.76 RNF4 (0.46) FFAR1THRBRORCPTGS1THRA
SCHEMBL7122037 0.74 FFAR1 (0.43) FFAR1PPARGPPARAFFAR4CA1
SCHEMBL5386428 0.72 KMT2A (0.47) THRBPTGS1THRA
SCHEMBL6912094 0.72 THRA (0.45) THRBPTGS1THRA

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
US-7144909-B2 Phenoxy substituted benzocondensed heteroaryl derivatives as thyroid receptor ligands KARO BIO AB (SE) 2006-12-05 US disclosed
US-20040116387-A1 Phenoxy substituted benzocondensed heteroaryl derivatives as thyroid receptor ligands KARO BIO AB (SE) 2004-06-17 US disclosed