SCHEMBL17619409

SCHEMBL17619409

C#CCCC/C=C/C(=O)OCC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.62
ALDH1A1 P00352 1/20 0.55
HCAR2 Q8TDS4 1/20 0.44
TTR P02766 1/20 0.36
DPP4 P27487 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.36
ATM Q13315 1/20 0.36
RAB9A P51151 1/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
NR1I2 O75469 1/20 0.36
PGR P06401 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL16852848 0.89 MAPT (0.56) MAPTALDH1A1HCAR2TTRDPP4
SCHEMBL28532594 0.89 MAPT (0.56) MAPTALDH1A1HCAR2TTRDPP4
SCHEMBL12966124 0.89 MAPT (0.49) MAPTALDH1A1HCAR2ZDHHC20ATM
SCHEMBL22100454 0.83 MAPT (0.85) MAPTALDH1A1HCAR2TTRDPP4
SCHEMBL2618106 0.80 MAPT (0.72) MAPTALDH1A1HCAR2TTRDPP4
SCHEMBL1885350 0.80 MAPT (0.72) MAPTALDH1A1HCAR2TTRDPP4
SCHEMBL872986 0.78 MAPT (0.70) MAPTALDH1A1HCAR2ATMNPSR1
SCHEMBL29131601 0.78 MAPT (0.70) MAPTALDH1A1HCAR2TTRDPP4
SCHEMBL872985 0.78 MAPT (0.70) MAPTALDH1A1HCAR2ATMNPSR1
SCHEMBL27487508 0.78 MAPT (0.70) MAPTALDH1A1HCAR2ATMNPSR1

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-20170192012-A1 COMPOSITIONS AND METHODS FOR DETECTING S-NITROSYLATION AND S-SULFINYLATION THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-07-06 US disclosed
US-20160084845-A1 COMPOSITIONS AND METHODS FOR DETECTING S-NITROSYLATION AND S-SULFINYLATION THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2016-03-24 US disclosed