SCHEMBL7948589

SCHEMBL7948589

CCCC[C@@H](F)C(=O)OC

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.59
CA1 P00915 4/20 0.59
MAPT P10636 1/20 0.50
ZDHHC7 Q9NXF8 1/20 0.50
ABCB1 P08183 1/20 0.39
TSHR P16473 2/20 0.39
CYP3A4 P08684 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 1/20 0.39
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
CES2 O00748 1/20 0.38
BIRC2 Q13490 1/20 0.37
ACHE P22303 2/20 0.37
ALDH1A1 P00352 1/20 0.37
EPHX1 P07099 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
SCHEMBL7948592 1.00 CA2 (0.59) CA2CA1MAPTZDHHC7ABCB1
SCHEMBL11311824 1.00 CA2 (0.59) CA2CA1MAPTZDHHC7ABCB1
SCHEMBL11537488 0.94 MAPT (0.59) CA2CA1MAPTZDHHC7ABCB1
SCHEMBL11864360 0.92 MAPT (0.62) CA2CA1MAPTZDHHC7ABCB1
SCHEMBL1667140 0.92 MAPT (0.62) CA2CA1MAPTZDHHC7ABCB1
SCHEMBL11534187 0.92 MAPT (0.62) CA2CA1MAPTZDHHC7ABCB1
SCHEMBL15939807 0.92 MAPT (0.62) CA2CA1MAPTZDHHC7ABCB1
SCHEMBL5749106 0.84 MAPT (0.52) CA2CA1MAPTZDHHC7TSHR
SCHEMBL7095852 0.83 CA1 (0.50) CA2CA1MAPTZDHHC7ABCB1
SCHEMBL7096850 0.83 MAPT (0.50) CA2CA1MAPTZDHHC7TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265440-B1 STOMACH ULCERS R-TECH UENO, LTD. (JP) 2001-07-24 US disclosed
US-5428062-A Side effect reduction K.K. UENO SEIYAKU OYO KENKYUJO (JP) 1995-06-27 US disclosed
US-5380709-A Prostaglandins E and anti ulcers containing same K.K. UENO SEIYAKU OYO KENKYUJO (JP) 1995-01-10 US disclosed
US-4256911-A TRIFLUOROMETHYL-CARBOXY ESTERS HOFFMANN-LA ROCHE INC. (US) 1981-03-17 US disclosed