SCHEMBL3272877

SCHEMBL3272877

CC(CC(C)O)=C(C)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.32
GRIK1 P39086 1/20 0.31
TSHR P16473 1/20 0.30
THRB P10828 1/20 0.30
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30
PGGT1B P53609 1/20 0.30
TET2 Q6N021 3/20 0.30
TET3 O43151 1/20 0.30
TET1 Q8NFU7 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
SCHEMBL1017646 0.82 ALDH1A1 (0.50) TDP1ALDH1A1GRIK1
SCHEMBL1017645 0.82 ALDH1A1 (0.50) TDP1ALDH1A1GRIK1
SCHEMBL18640438 0.82 ALDH1A1 (0.50) TDP1ALDH1A1GRIK1
SCHEMBL484972 0.81 ALDH1A1 (0.33) TDP1ALDH1A1TP53
SCHEMBL449035 0.80 TDP1 (0.36) TDP1ALDH1A1TP53SLC22A6GRIK1
SCHEMBL8669803 0.80 TDP1 (0.36) TDP1ALDH1A1TP53SLC22A6GRIK1
SCHEMBL1509857 0.78 GABRP (0.39) TDP1ALDH1A1GRIK1
SCHEMBL31510460 0.78 TDP1 (0.35) TDP1ALDH1A1
SCHEMBL5104397 0.76 ALDH1A1 (0.39) TDP1ALDH1A1TP53GRIK1
SCHEMBL3689722 0.76 ALDH1A1 (0.33) TDP1ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0694298-B1 PREFORMED GLASS IONOMER FILLER WHICH CAN SUSTAINEDLY RELEASE FLUORIDE ION AND DENTAL COMPOSITION CONTAINING THE SAME SHOFU INC (JP) 2010-06-09 EP disclosed
US-5883153-A SUSTAINED RELEASE GLASS IONOMERS SHOFU INC. (JP) 1999-03-16 US disclosed
EP-0694298-A1 PREFORMED GLASS IONOMER FILLER WHICH CAN SUSTAINEDLY RELEASE FLUORIDE ION AND DENTAL COMPOSITION CONTAINING THE SAME SHOFU INC. (JP) 1996-01-31 EP disclosed