SCHEMBL4351079

SCHEMBL4351079

CCNc1cccc(COc2ccc(CCC(=O)O)c(Br)c2Br)c1C

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 15/20 0.44
THRA P10827 2/20 0.40
THRB P10828 2/20 0.40
FFAR1 O14842 3/20 0.40
PTGER1 P34995 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 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
SCHEMBL4351897 0.88 THRA (0.41) FFAR4THRATHRBFFAR1PTGER1
SCHEMBL4364043 0.79 THRA (0.66) FFAR4THRATHRBFFAR1
SCHEMBL5718289 0.78 FFAR1 (0.52) FFAR4THRATHRBFFAR1PTGER1
SCHEMBL5718097 0.71 FFAR1 (0.49) FFAR4THRATHRBFFAR1PTGER1
SCHEMBL4356742 0.71 THRA (0.63) FFAR4THRATHRBFFAR1
SCHEMBL4352064 0.68 THRA (0.66) FFAR4THRATHRBFFAR1
SCHEMBL4360622 0.67 THRA (0.68) FFAR4THRATHRBFFAR1
SCHEMBL4346561 0.67 THRB (0.64) FFAR4THRATHRBFFAR1
SCHEMBL4531208 0.67 THRA (0.64) FFAR4THRATHRBFFAR1
SCHEMBL4559404 0.67 THRA (0.64) FFAR4THRATHRBFFAR1

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 claimed