SCHEMBL4351897

SCHEMBL4351897

CCNc1cccc(COc2ccc(CCC(=O)O)c(Br)c2Br)c1OC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.41
THRB P10828 2/20 0.41
FFAR4 Q5NUL3 11/20 0.41
MRGPRX4 Q96LA9 1/20 0.39
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36
FFAR1 O14842 1/20 0.36
POLB P06746 1/20 0.36
ABCB1 P08183 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL4351079 0.88 FFAR4 (0.44) THRATHRBFFAR4PTGER1PTGER4
SCHEMBL4531208 0.80 THRA (0.64) THRATHRBFFAR4FFAR1PPARG
SCHEMBL4346561 0.72 THRB (0.64) THRATHRBFFAR4FFAR1
SCHEMBL4352064 0.69 THRA (0.66) THRATHRBFFAR4FFAR1
SCHEMBL4364043 0.69 THRA (0.66) THRATHRBFFAR4FFAR1
SCHEMBL4559404 0.68 THRA (0.64) THRATHRBFFAR4FFAR1
SCHEMBL27747620 0.67 MEN1 (0.47) THRATHRBFFAR4PTGER1PTGER4
SCHEMBL5364121 0.66 PTGER4 (0.48) FFAR4PTGER1PTGER4PTGER3PTGER2
SCHEMBL9498776 0.66 GABRA1 (0.63) THRATHRBFFAR4PTGER1PTGER4
SCHEMBL5718289 0.65 FFAR1 (0.52) THRATHRBFFAR4PTGER1PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009080835-A1 THYROMIMETRIC COMPOUNDS IN TREATMENT OF DISEASE RELATED TO SONIC HEDGEHOG SIGNALLING KARO BIO AB (SE) 2009-07-02 WO disclosed