SCHEMBL18402540

SCHEMBL18402540

O=C(I)COc1ccc(Cn2c(=O)oc3cc(O)c(F)cc32)cc1O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.41
▸ HTT P42858 4/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ LMNA P02545 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ IDO1 P14902 4/20 0.40
▸ MIF P14174 8/20 0.40
▸ CD74 P04233 4/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPK1 P28482 1/20 0.38

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
SCHEMBL18402539 0.85 MIF (0.48) TSHRHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL18402538 0.84 TSHR (0.62) TSHRHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL16296691 0.76 MIF (0.49) TSHRHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL16296741 0.74 TSHR (0.63) TSHRHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL18402541 0.73 TSHR (0.65) TSHRHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL17312335 0.71 TSHR (0.59) TSHRHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL16296797 0.63 TSHR (0.78) TSHRHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL2757835 0.63 MIF (0.71) TSHRHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL14563049 0.62 MAPT (0.58) IDO1MIFCD74KMT2APOLB
SCHEMBL17312297 0.62 TSHR (0.63) 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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