SCHEMBL807672

SCHEMBL807672

CCCOC(=O)C(C)NI

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.38
ALDH1A1 P00352 6/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.35
MAPK1 P28482 2/20 0.35
ALPG P10696 1/20 0.35
PPARG P37231 1/20 0.35
HTT P42858 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
ESR1 P03372 1/20 0.34
CHRM1 P11229 1/20 0.34
TSHR P16473 1/20 0.34
SLC6A2 P23975 1/20 0.34
KDR P35968 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ZDHHC7 Q9NXF8 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33

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
SCHEMBL882326 0.90 ALDH1A1 (0.48) HCAR2ALDH1A1NPSR1ALPGPPARG
SCHEMBL807674 0.84
SCHEMBL19190109 0.82 HCAR2 (0.38) HCAR2ALDH1A1NPSR1LMNAMAPK1
SCHEMBL807261 0.82 HCAR2 (0.38) HCAR2ALDH1A1NPSR1LMNAMAPK1
SCHEMBL13531181 0.80 HCAR2 (0.36) HCAR2ALDH1A1NPSR1LMNAMAPK1
SCHEMBL14621493 0.80 ALDH1A1 (0.39) HCAR2ALDH1A1NPSR1LMNAMAPK1
SCHEMBL12761584 0.80 HCAR2 (0.36) HCAR2ALDH1A1NPSR1LMNAMAPK1
SCHEMBL5813330 0.78 GAA (0.43) HCAR2ALDH1A1NPSR1TSHRMETAP2
SCHEMBL12305128 0.78 SCN1A (0.39) HCAR2ALDH1A1NPSR1LMNAMAPK1
SCHEMBL5813322 0.78 GAA (0.43) HCAR2ALDH1A1NPSR1TSHRMETAP2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3150608-A1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT Gilead Sciences, Inc. (US) 2017-04-05 EP disclosed
EP-2480552-B1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2016-11-09 EP disclosed
EP-2937350-A1 1' -substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2015-10-28 EP disclosed
WO-2012039791-A1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-03-29 WO disclosed
WO-2012037038-A1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-03-22 WO disclosed
WO-2010093608-A1 CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2010-08-19 WO disclosed