SCHEMBL29566121

SCHEMBL29566121

CCOc1cc(O)cc(Cn2c(=O)oc3ccc(C)cc32)c1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 7/20 0.65
▸ TSHR P16473 4/20 0.61
▸ LMNA P02545 3/20 0.61
▸ HTT P42858 3/20 0.61
▸ KDM4E B2RXH2 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ CD74 P04233 3/20 0.58
▸ KMT2A Q03164 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55

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
SCHEMBL18805701 1.00 MIF (0.65) MIFTSHRLMNAHTTKDM4E
SCHEMBL20725150 0.89 MIF (0.71) MIFTSHRLMNAHTTKDM4E
SCHEMBL18805678 0.84 MIF (0.79) MIFTSHRLMNAHTTKDM4E
SCHEMBL18805691 0.80 MIF (0.80) MIFTSHRLMNAHTTKDM4E
SCHEMBL18805676 0.80 KMT2A (0.76) MIFTSHRLMNAHTTKDM4E
SCHEMBL2757836 0.79 MIF (1.00) MIFTSHRLMNAHTTKDM4E
SCHEMBL29566285 0.79 MIF (1.00) MIFTSHRLMNAHTTKDM4E
SCHEMBL2757835 0.75 MIF (0.71) MIFTSHRLMNAHTTKDM4E
SCHEMBL20725151 0.75 MIF (0.76) MIFTSHRLMNAHTTKDM4E
SCHEMBL2757851 0.74 MIF (1.00) MIFTSHRLMNAHTTKDM4E

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
EP-4237002-A1 METHODS OF TREATING SPONDYLOARTHRITIS OR SYMPTOMS THEREOF University Health Network (CA) 2023-09-06 — — EP disclosed
WO-2022087719-A1 METHODS OF TREATING SPONDYLOARTHRITIS OR SYMPTOMS THEREOF UNIVERSITY HEALTH NETWORK (CA) 2022-05-05 — — WO disclosed
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