SCHEMBL18402541

SCHEMBL18402541

BC(=O)COc1ccc(Cn2c(=O)oc3ccc(C)cc32)cc1O

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 6/20 0.65
▸ HTT P42858 4/20 0.65
▸ SMN1; SMN2 Q16637 4/20 0.65
▸ LMNA P02545 4/20 0.65
▸ ALDH1A1 P00352 2/20 0.65
▸ KDM4E B2RXH2 1/20 0.62
▸ MAPK1 P28482 2/20 0.61
▸ GAA P10253 1/20 0.61
▸ MIF P14174 5/20 0.57
▸ KMT2A Q03164 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ CD74 P04233 3/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ HPGD P15428 1/20 0.48

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
SCHEMBL16296741 0.91 TSHR (0.63) TSHRHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL18402538 0.90 TSHR (0.62) TSHRHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL17312335 0.87 TSHR (0.59) TSHRHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL16296797 0.82 TSHR (0.78) TSHRHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL2757835 0.81 MIF (0.71) TSHRHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL16296890 0.81 TSHR (0.80) TSHRHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL17327966 0.79 TSHR (0.80) TSHRHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL17327981 0.79 TSHR (0.51) TSHRHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL17312297 0.78 TSHR (0.63) TSHRHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL16305142 0.78 TSHR (0.48) TSHRHTTSMN1; SMN2LMNAALDH1A1

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
US-9549988-B2 Pharmaceutical compounds targeted by MIF affinity-tethered moieties RJS Biologics (US) 2017-01-24 — — US disclosed
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