SCHEMBL16632527

SCHEMBL16632527

CCC(S)CC(=O)OCCn1c(=O)n(CCOC(=O)CC(S)CC)c(=O)n(CCOC(=O)CC(S)CC)c1=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 3/20 0.35
PLA2G4A P47712 2/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
RGS4 P49798 1/20 0.31
RGS8 P57771 1/20 0.31
ADORA2B P29275 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
SCHEMBL18619592 0.83 GAA (0.41) GAAKDM4EMEN1KMT2AALDH1A1
SCHEMBL471918 0.83 GAA (0.41) GAAKDM4EMEN1KMT2AALDH1A1
SCHEMBL869610 0.80 DGKA (0.39) GAAALDH1A1NPSR1TDP1
SCHEMBL13399527 0.80 GAA (0.44) GAAKDM4EMEN1KMT2AALDH1A1
SCHEMBL24298537 0.79 GAA (0.39) GAAKDM4EMEN1KMT2AALDH1A1
SCHEMBL20851063 0.79 GAA (0.39) GAAKDM4EMEN1KMT2AALDH1A1
SCHEMBL19698629 0.79 GAA (0.39) GAAKDM4EMEN1KMT2AALDH1A1
SCHEMBL23343652 0.79 GAA (0.42) GAAKDM4EMEN1KMT2AALDH1A1
SCHEMBL13129068 0.78 GAA (0.38) GAAKDM4EMEN1KMT2AALDH1A1
SCHEMBL2878315 0.78 GAA (0.38) GAAKDM4EMEN1KMT2AALDH1A1

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
CN-118019780-A Polyimide, polyimide precursor, composition, and method for producing polyimide 富士胶片株式会社 2024-05-10 CN disclosed
US-20150104746-A1 METHOD OF CONCENTRATING WASTE LIQUID PRODUCED BY DEVELOPMENT, AND METHOD OF RECYCLING WASTE LIQUID PRODUCED BY DEVELOPMENT FUJIFILM CORPORATION (JP) 2015-04-16 US disclosed