SCHEMBL26235345

SCHEMBL26235345

CC(C)COC(=O)Nc1ncnn2c([C@@H]3O[C@](C)(CO)[C@@H](O)[C@H]3O)ccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 4/20 0.35
▸ KDR P35968 4/20 0.35
▸ TMPRSS2 O15393 1/20 0.35
▸ POLRMT O00411 1/20 0.34
▸ MAPK1 P28482 1/20 0.32
▸ TSHR P16473 2/20 0.32
▸ FSHR P23945 2/20 0.32
▸ HCK P08631 3/20 0.32
▸ SRC P12931 3/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ RET P07949 1/20 0.32
▸ KIT P10721 1/20 0.32
▸ PDGFRA P16234 1/20 0.32
▸ TEK Q02763 1/20 0.32
▸ MAOB P27338 1/20 0.31
▸ GRM5 P41594 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ CSNK2A2 P19784 1/20 0.31

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
SCHEMBL26823086 0.87 TMPRSS2 (0.40) LCKKDRTMPRSS2POLRMTMAPK1
SCHEMBL26239498 0.86 LCK (0.33) LCKKDRTMPRSS2MAPK1TSHR
SCHEMBL26229875 0.86 TMPRSS2 (0.37) TMPRSS2POLRMTTSHR
SCHEMBL26832567 0.80 TMPRSS2 (0.37) LCKKDRTMPRSS2MAPK1
SCHEMBL26237130 0.79 MAOB (0.31) LCKKDRTMPRSS2MAPK1MAOB
SCHEMBL26229867 0.79 POLRMT (0.35) TMPRSS2POLRMTTSHR
SCHEMBL26823411 0.79 TMPRSS2 (0.35) LCKKDRTMPRSS2
SCHEMBL26235258 0.76 POLRMT (0.46) POLRMT
SCHEMBL16708561 0.75 POLRMT (0.48) POLRMT
SCHEMBL26206065 0.74 KDR (0.44) LCKKDRMAPK1TSHRMAOB

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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