SCHEMBL1345757

SCHEMBL1345757

CCC(C)(C)C(=O)OC(C)=O.[In]

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 3/20 0.35
HSD17B10 Q99714 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.33
PRSS1 P07477 1/20 0.31
CTSG P08311 1/20 0.31
CTRB1 P17538 1/20 0.31
CMA1 P23946 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 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
SCHEMBL1417855 0.98 ALDH1A1 (0.43) ALDH1A1TSHRTDP1HSD17B10LMNA
SCHEMBL385083 0.85 ALDH1A1 (0.39) ALDH1A1TSHRTDP1PRSS1CTSG
SCHEMBL9771379 0.79 ELANE (0.44) ALDH1A1TSHRTDP1HSD17B10LMNA
Valine SCHEMBL7162103 0.78 SLC7A5 (0.48)
SCHEMBL17864484 0.78 ALDH1A1 (0.43) ALDH1A1TSHRTDP1HSD17B10LMNA
SCHEMBL11881793 0.78 FFAR3 (0.36) ALDH1A1TSHRTDP1PRSS1CTSG
SCHEMBL18907771 0.78 PRSS1 (0.35) ALDH1A1TSHRTDP1PRSS1CTSG
SCHEMBL28358147 0.78 ALDH1A1 (0.43) ALDH1A1TSHRTDP1HSD17B10LMNA
SCHEMBL1396423 0.76 ALDH1A1 (0.41) ALDH1A1TSHRTDP1HSD17B10LMNA
SCHEMBL19821861 0.76 ALDH1A1 (0.35) ALDH1A1HSD17B10LMNAGAACYP4F2

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
US-20060024436-A1 Method for coating small particles NAVY, THE U.S.A. AS REPRESENTED BY THE SECRETARY OF THE 2006-02-02 US claimed
US-8486487-B2 Gas barrier film, gas barrier film manufacturing method, resin substrate for organic electroluminescent device using the aforesaid gas barrier film, and organic electroluminescent device using the aforementioned gas barrier film KONICA MINOLTA HOLDINGS, INC. (JP) 2013-07-16 US disclosed
US-8062707-B2 Gas barrier film, gas barrier film manufacturing method, resin substrate for organic electroluminescent device using the aforesaid gas barrier film, and organic electroluminescent device using the aforementioned gas barrier film KONICA MINOLTA HOLDINGS, INC. (JP) 2011-11-22 US disclosed
US-20090051272-A1 GAS BARRIER FILM, GAS BARRIER FILM MANUFACTURING METHOD, RESIN SUBSTRATE FOR ORGANIC ELECTROLUMINESCENT DEVICE USING THE AFORESAID GAS BARRIER FILM, AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE AFOREMENTIONED GAS BARRIER FILM KONICA MINOLTA HOLDINGS, INC. (JP) 2009-02-26 US disclosed
EP-1849593-A1 GAS-BARRIER FILM, PROCESS FOR PRODUCING GAS-BARRIER FILM, RESIN BASE WITH THE GAS-BARRIER FILM FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT KONICA MINOLTA HOLDINGS, INC. (JP) 2007-10-31 EP disclosed
US-20060024436-A1 Method for coating small particles NAVY, THE U.S.A. AS REPRESENTED BY THE SECRETARY OF THE 2006-02-02 US disclosed