SCHEMBL806944

SCHEMBL806944

CCC(C)(NC)C(=O)OCC(C)C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.38
TSHR P16473 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.33
PRKCA P17252 1/20 0.33
MAPK1 P28482 2/20 0.31
GAA P10253 1/20 0.31
NR1H3 Q13133 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL22905419 0.83 SMN1; SMN2 (0.36) MMP8TSHRSMN1; SMN2ALDH1A1MAPT
SCHEMBL10171878 0.80 MAPT (0.46) MMP8TSHRALDH1A1MAPTGAA
SCHEMBL4763733 0.79 TSHR (0.41) MMP8TSHRSMN1; SMN2ALDH1A1MAPT
SCHEMBL10171881 0.77 MAPT (0.35) TSHRALDH1A1MAPTKDM4E
SCHEMBL807510 0.77 TSHR (0.34) MMP8TSHRSMN1; SMN2MAPTMAPK1
SCHEMBL2681020 0.76 TSHR (0.42) MMP8TSHRSMN1; SMN2ALDH1A1PRKCA
SCHEMBL11026153 0.76 TSHR (0.42) MMP8TSHRSMN1; SMN2ALDH1A1MAPT
SCHEMBL806956 0.76 DGAT1 (0.38) TSHRALDH1A1MAPTMAPK1KDM4E
SCHEMBL4069477 0.76 DGAT1 (0.38) TSHRALDH1A1MAPTMAPK1KDM4E
SCHEMBL807509 0.74 ALDH1A1 (0.45) TSHRSMN1; SMN2ALDH1A1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2697241-B1 1'-SUBSTITUTED PYRIMIDINE N-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2019-06-12 EP disclosed
EP-2937350-A1 1' -substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2015-10-28 EP disclosed
EP-2268642-B1 1' -SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2015-02-25 EP disclosed
EP-2280973-B1 CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2012-11-28 EP disclosed
WO-2012142523-A2 1'-SUBSTITUTED PYRIMIDINE N-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-10-18 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
WO-2009132123-A1 CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2009-10-29 WO disclosed