SCHEMBL2133187

SCHEMBL2133187

CC(C)(C)c1cc(CCC(=O)OCCSCCOC(=O)CCc2ccc(O)c(C(C)(C)C)c2)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.55
YWHAG P61981 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
ALOX5 P09917 2/20 0.38
IAPP P10997 3/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
GAA P10253 2/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
OR51E2 Q9H255 1/20 0.37
ALDH1A1 P00352 2/20 0.37
NR1I2 O75469 1/20 0.37
LMNA P02545 1/20 0.37
CYP2C9 P11712 1/20 0.37
MIF P14174 1/20 0.37
TYR P14679 1/20 0.37
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.37
NFE2L2 Q16236 1/20 0.37

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
SCHEMBL7116001 0.88 APP (0.58) APPYWHAGTDP1ALOX5IAPP
SCHEMBL2131066 0.88 APP (0.51) APPYWHAGTDP1ALOX5IAPP
SCHEMBL30077234 0.88 APP (0.58) APPYWHAGTDP1ALOX5IAPP
SCHEMBL30077254 0.87 APP (0.57) APPYWHAGTDP1ALOX5IAPP
SCHEMBL5527871 0.87 APP (0.57) APPYWHAGTDP1ALOX5IAPP
SCHEMBL7933753 0.87 APP (0.57) APPYWHAGTDP1ALOX5IAPP
SCHEMBL30165 0.85 GAA (0.52) APPTDP1ALOX5GAAALDH1A1
Methane SCHEMBL9820093 0.84 GAA (0.51) APPTDP1ALOX5GAAALDH1A1
SCHEMBL9487932 0.84 APP (0.52) APPYWHAGTDP1ALOX5IAPP
SCHEMBL490553 0.84 CYP4F2 (0.55) APPIAPPCYP4F2CYP4A11GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530119-B2 Positive photosensitive resin composition, cured film, protective film, interlayer insulating film, and semiconductor device and display element using the same SUMITOMO BAKELITE CO., LTD. (JP) 2013-09-10 US disclosed
US-20120100484-A1 POSITIVE PHOTOSENSITIVE RESIN COMPOSITION, CURED FILM, PROTECTIVE FILM, INTERLAYER INSULATING FILM, AND SEMICONDUCTOR DEVICE AND DISPLAY ELEMENT USING THE SAME SUMITOMO BAKELITE CO., LTD. (JP) 2012-04-26 US disclosed
US-6818792-B2 PREPARATION AND/OR WORKING-UP OF POLYMERIZABLE COMPOUNDS USING AT LEAST ONE LIQUID RING PUMP, WHEREIN WORKING LIQUID WHICH CONTAINS A MATERIAL STREAM FROM PREPARATION AND/OR WORKING-UP OFPOLYMERIZABLE COMPOUND IS USED LIQUID RING PUMP BASF AKTIENGESELLSCHAFT (DE) 2004-11-16 US disclosed