SCHEMBL28071889

SCHEMBL28071889

C=CCCCS(=O)(=O)O.F[B-](F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.39
ABCC4 O15439 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 3/20 0.32
LMNA P02545 2/20 0.32
TSHR P16473 2/20 0.32
PTGS1 P23219 1/20 0.32
PDE4A P27815 1/20 0.32
SLC6A6 P31641 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.32
EPHX2 P34913 1/20 0.31
LPAR2 Q9HBW0 1/20 0.31
LPAR3 Q9UBY5 1/20 0.31
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL16563694 0.98 APP (0.38) APPABCC4MAPTALDH1A1LMNA
SCHEMBL16563221 0.92 APP (0.37) APPABCC4MAPTALDH1A1LMNA
SCHEMBL720942 0.91
SCHEMBL5350622 0.89 APP (0.44) APPABCC4MAPTALDH1A1LMNA
SCHEMBL16563243 0.85 APP (0.38) APPABCC4MAPTALDH1A1LMNA
SCHEMBL16563535 0.84 PTGS1 (0.33) APPLMNAPTGS1PDE4ASLC6A6
SCHEMBL872467 0.84 APP (0.44) APPABCC4MAPTALDH1A1LMNA
SCHEMBL16563692 0.83 APP (0.37) APPABCC4MAPTALDH1A1LMNA
SCHEMBL23630404 0.82 MAPT (0.46) APPABCC4MAPTALDH1A1LMNA
SCHEMBL8218999 0.82 MAPT (0.46) APPABCC4MAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105618149-A Preparation method of porous polyion liquid catalyst for synthesizing biodiesel NANJING UNIVERSITY OF TECHNOLOGY 2016-06-01 CN disclosed