SCHEMBL9857796

SCHEMBL9857796

CC(C)(C)c1cc(CCC(=O)OCc2ccccc2)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.55
TDP1 Q9NUW8 2/20 0.48
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALOX5 P09917 2/20 0.43
FFAR4 Q5NUL3 1/20 0.42
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
CASP1 P29466 1/20 0.41
NR1I2 O75469 1/20 0.41
CYP2C9 P11712 1/20 0.41
MIF P14174 1/20 0.41
TYR P14679 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
NFE2L2 Q16236 1/20 0.41

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
SCHEMBL8526866 0.87 GAA (0.52) APPTDP1ALDH1A1MAPK1L3MBTL1
SCHEMBL9487932 0.84 APP (0.52) APPTDP1ALDH1A1L3MBTL1ALOX5
SCHEMBL490553 0.84 CYP4F2 (0.55) APPALDH1A1L3MBTL1LMNAKMT2A
SCHEMBL197805 0.84 APP (0.76) APPTDP1ALDH1A1MAPK1L3MBTL1
SCHEMBL9172620 0.83 KMT2A (0.49) APPTDP1ALDH1A1L3MBTL1ALOX5
SCHEMBL9858174 0.83 FFAR4 (0.44) APPTDP1ALDH1A1MAPK1L3MBTL1
SCHEMBL30077234 0.83 APP (0.58) APPTDP1ALDH1A1L3MBTL1ALOX5
SCHEMBL7116001 0.83 APP (0.58) APPTDP1ALDH1A1L3MBTL1ALOX5
SCHEMBL2131066 0.83 APP (0.51) APPTDP1ALDH1A1L3MBTL1ALOX5
SCHEMBL7933753 0.82 APP (0.57) APPTDP1ALDH1A1L3MBTL1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5077424-A Antioxidants YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-12-31 US disclosed
EP-0335262-A2 Phosphite compounds YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-10-04 EP disclosed