SCHEMBL16305152

SCHEMBL16305152

CCCCCC(=O)ONNC(=O)CCOCCOCCOCCOCCNC(=O)COc1ccc(Cn2c(=O)oc3ccc(C)cc32)cc1O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 6/20 0.45
▸ HTT P42858 5/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ LMNA P02545 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPK1 P28482 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MIF P14174 3/20 0.40
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CD74 P04233 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
SCHEMBL16305142 0.87 TSHR (0.48) TSHRHTTSMN1; SMN2LMNAKDM4E
SCHEMBL17327982 0.85 TSHR (0.45) TSHRHTTSMN1; SMN2LMNAKDM4E
SCHEMBL17327981 0.85 TSHR (0.51) TSHRHTTSMN1; SMN2LMNAKDM4E
SCHEMBL16294776 0.81 TSHR (0.44) TSHRHTTSMN1; SMN2LMNAKDM4E
SCHEMBL16305168 0.77 SMN1; SMN2 (0.36) TSHRHTTSMN1; SMN2LMNAKDM4E
SCHEMBL17312335 0.76 TSHR (0.59) TSHRHTTSMN1; SMN2LMNAKDM4E
SCHEMBL18400005 0.76 TSHR (0.40) TSHRHTTSMN1; SMN2LMNAKDM4E
SCHEMBL16296741 0.73 TSHR (0.63) TSHRHTTSMN1; SMN2LMNAKDM4E
SCHEMBL18402541 0.72 TSHR (0.65) TSHRHTTSMN1; SMN2LMNAKDM4E
SCHEMBL18402538 0.72 TSHR (0.62) TSHRHTTSMN1; SMN2LMNAKDM4E

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-2014200872-A9 PHARMACEUTICAL COMPOUNDS TARGETED BY MIF AFFINITY-TETHERED MOIETIES RJS BIOLOGICS LLC (US) 2015-02-05 — — WO disclosed
WO-2014200872-A1 PHARMACEUTICAL COMPOUNDS TARGETED BY MIF AFFINITY-TETHERED MOIETIES RJS BIOLOGICS LLC (US) 2014-12-18 — — WO disclosed
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