SCHEMBL6544624

SCHEMBL6544624

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CA2 P00918 1/20 0.39
SLC7A5 Q01650 1/20 0.36
GRIK1 P39086 4/20 0.35
CACNA2D1 P54289 2/20 0.35
CACNB3 P54284 1/20 0.35
CACNA1C Q13936 1/20 0.35
PGR P06401 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
CACNA2D2 Q9NY47 1/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL6544619 1.00 ALDH1A1 (0.48) ALDH1A1TDP1CA2SLC7A5GRIK1
SCHEMBL5104397 0.86 ALDH1A1 (0.39) ALDH1A1TDP1CA2SLC7A5GRIK1
Hydrochloric Acid SCHEMBL16236601 0.84 ALDH1A1 (0.37) ALDH1A1TDP1CA2SLC7A5GRIK1
SCHEMBL27488989 0.81 ALDH1A1 (0.44) ALDH1A1TDP1CA2LMNAALOX15
SCHEMBL1017645 0.77 ALDH1A1 (0.50) ALDH1A1TDP1CA2SLC7A5GRIK1
SCHEMBL1017646 0.77 ALDH1A1 (0.50) ALDH1A1TDP1CA2SLC7A5GRIK1
SCHEMBL670991 0.77 ALDH1A1 (0.50) ALDH1A1TDP1CA2SLC7A5GRIK1
SCHEMBL670992 0.77 ALDH1A1 (0.50) ALDH1A1TDP1CA2SLC7A5GRIK1
SCHEMBL18640438 0.77 ALDH1A1 (0.50) ALDH1A1TDP1CA2SLC7A5GRIK1
SCHEMBL1746341 0.77 ALDH1A1 (0.50) ALDH1A1TDP1CA2SLC7A5GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0884335-B1 Segmented polyolefines BOREALIS GMBH (AT) 2004-04-14 EP disclosed
EP-0964011-B1 Polyolefine graft copolymers BOREALIS GMBH (AT) 2004-01-07 EP disclosed
EP-0964011-A1 Polyolefine graft copolymers Borealis AG (AT) 1999-12-15 EP disclosed
EP-0891989-A1 Modified polymers containing methylene groups PCD Polymere AG (AT) 1999-01-20 EP disclosed
EP-0884335-A1 Segmented polyolefines PCD Polymere AG (AT) 1998-12-16 EP disclosed