SCHEMBL12455653

SCHEMBL12455653

CCC(C)C(=O)OCCCOc1ccc2c(c1)C(=O)c1ccccc1C2=O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
KMT2A Q03164 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
RAB9A P51151 1/20 0.51
CHRNA7 P36544 1/20 0.46
POLB P06746 1/20 0.45
DNMT1 P26358 1/20 0.45
RAD52 P43351 1/20 0.45
PPARG P37231 2/20 0.45
PTPN1 P18031 1/20 0.44
PTPN11 Q06124 1/20 0.43
MCHR1 Q99705 1/20 0.43

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
SCHEMBL26812826 0.83 RAB9A (0.51) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL18015983 0.80 MAPT (0.69) MAPTKMT2AL3MBTL1MEN1NPC1
SCHEMBL12112342 0.80 RAB9A (0.55) NPC1ALDH1A1RAB9APPARG
SCHEMBL14288507 0.79 MAPT (0.72) MAPTKMT2AL3MBTL1MEN1NPC1
SCHEMBL10136193 0.78 MAPT (0.54) MAPTKMT2AL3MBTL1MEN1NPC1
SCHEMBL23051433 0.77 MAPT (0.60) MAPTKMT2AL3MBTL1MEN1NPC1
SCHEMBL23960774 0.76 MAPT (0.64) MAPTKMT2AL3MBTL1MEN1NPC1
SCHEMBL12455560 0.76 GAA (0.56) MAPTL3MBTL1ALDH1A1GAARAB9A
SCHEMBL12112346 0.76 PPARG (0.55) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL10136194 0.76 MAPT (0.55) MAPTKMT2AL3MBTL1MEN1NPC1

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-8796357-B2 Ink composition, image forming method, and print material FUJIFILM CORPORATION (JP) 2014-08-05 US disclosed
US-20120238691-A1 INK COMPOSITION, IMAGE FORMING METHOD, AND PRINT MATERIAL FUJIFILM CORPORATION (JP) 2012-09-20 US disclosed