SCHEMBL26237130

SCHEMBL26237130

CC(C)COC(=O)Nc1ncnn2c([C@@H]3O[C@]4(C)C(O)[C@@]45OC(C)(C)O[C@@H]35)ccc12

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.31
▸ GRM5 P41594 1/20 0.30
▸ LCK P06239 1/20 0.30
▸ KDR P35968 1/20 0.30
▸ TMPRSS2 O15393 1/20 0.30
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL26239498 0.80 LCK (0.33) LCKKDRTMPRSS2MAPK1
SCHEMBL26235345 0.79 LCK (0.35) MAOBGRM5LCKKDRTMPRSS2
SCHEMBL26823411 0.77 TMPRSS2 (0.35) LCKKDRTMPRSS2
SCHEMBL26832567 0.77 TMPRSS2 (0.37) LCKKDRTMPRSS2MAPK1
SCHEMBL25776452 0.76 POLRMT (0.38) —
SCHEMBL26823086 0.75 TMPRSS2 (0.40) MAOBLCKKDRTMPRSS2MAPK1
SCHEMBL26831296 0.72 — —
SCHEMBL26206065 0.71 KDR (0.44) MAOBLCKKDRMAPK1
SCHEMBL26209321 0.70 KDM4E (0.38) MAOBGRM5LCKKDRMAPK1
SCHEMBL26235125 0.70 SMN1; SMN2 (0.38) MAOBLCKKDRMAPK1

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
WO-2023168254-A1 ANTIVIRAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME GILEAD SCIENCES, INC. (US) 2023-09-07 — — WO disclosed
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