SCHEMBL4533982

SCHEMBL4533982

O=C(O)COc1cc(Br)c(Oc2ccc3[nH]c(CC4CCCC4)nc3c2)c(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRA P10827 5/20 0.38
THRB P10828 5/20 0.38
IDO1 P14902 2/20 0.38
AAK1 Q2M2I8 1/20 0.37
PDE2A O00408 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
P2RY12 Q9H244 1/20 0.36
FFAR4 Q5NUL3 2/20 0.36
GRIN2B Q13224 1/20 0.36
HTR2B P41595 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.34
KDM5B Q9UGL1 1/20 0.34
PTGDR Q13258 1/20 0.33

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
SCHEMBL3989613 0.82 THRB (0.41) THRATHRBPDE2APDE3BPDE3A
SCHEMBL6512563 0.80 KDM4E (0.44) THRATHRB
SCHEMBL6515965 0.79 KDM4E (0.43) THRATHRB
SCHEMBL6515521 0.78 KDM4E (0.44) THRATHRB
SCHEMBL6515971 0.75 KDM4E (0.46) THRATHRB
SCHEMBL3978301 0.75 THRB (0.37) THRATHRBPDE2APDE3BPDE3A
SCHEMBL6516591 0.74 KDM4E (0.43) THRATHRB
SCHEMBL6523744 0.74 KDM4E (0.41) THRATHRB
SCHEMBL6520612 0.73 KDM4E (0.40) THRATHRB
SCHEMBL6512638 0.73 THRA (0.43) THRATHRB

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