SCHEMBL16294776

SCHEMBL16294776

Cc1ccc2oc(=O)n(Cc3ccc(OCC(=O)NCCOCC(=O)OCCOCCOCCCNN)c(O)c3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 6/20 0.44
▸ HTT P42858 5/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ LMNA P02545 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ MIF P14174 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ CD74 P04233 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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 0.86 TSHR (0.48) TSHRHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL17327981 0.85 TSHR (0.51) TSHRHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL17327982 0.80 TSHR (0.45) TSHRHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL17312335 0.80 TSHR (0.59) TSHRHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL16296741 0.75 TSHR (0.63) TSHRHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL18402541 0.74 TSHR (0.65) TSHRHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL18402538 0.74 TSHR (0.62) TSHRHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL16305168 0.74 SMN1; SMN2 (0.36) TSHRHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL16305169 0.72 EGFR (0.50) —
SCHEMBL18400008 0.71 EGFR (0.43) 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 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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