SCHEMBL8090946

SCHEMBL8090946

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

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.58
BACE1 P56817 1/20 0.58
MAPT P10636 2/20 0.48
TRPA1 O75762 1/20 0.48
DDAH1 O94760 1/20 0.48
GAPDH P04406 1/20 0.48
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
PPARG P37231 2/20 0.41
FPR2 P25090 2/20 0.41
GPR132 Q9UNW8 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
OXER1 Q8TDS5 1/20 0.40
LTB4R2 Q9NPC1 2/20 0.39
ALOX5 P09917 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LTB4R Q15722 1/20 0.39

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
SCHEMBL8089121 0.94 TRPA1 (0.56) ACHEBACE1MAPTTRPA1DDAH1
SCHEMBL8089112 0.88 ACHE (0.43) ACHEBACE1MAPTTRPA1DDAH1
SCHEMBL1782779 0.82 ACHE (0.59) ACHEBACE1MAPTTRPA1DDAH1
SCHEMBL1782776 0.82 ACHE (0.59) ACHEBACE1MAPTTRPA1DDAH1
SCHEMBL8090945 0.82 ACHE (0.76) ACHEBACE1MAPTTRPA1DDAH1
SCHEMBL8828842 0.82 ACHE (0.76) ACHEBACE1MAPTTRPA1DDAH1
SCHEMBL11473461 0.80 CA2 (0.44) ACHEBACE1MAPTCA1CA2
SCHEMBL719805 0.79
SCHEMBL10911669 0.78 ACHE (0.56) ACHEBACE1MAPTTRPA1DDAH1
SCHEMBL2206650 0.76 MAPT (0.40) MAPTTRPA1DDAH1GAPDHCA1

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
EP-0758361-B1 POLYMERISABLE COMPOSITION AND THE USE THEREOF NOVARTIS AG (CH) 2000-11-15 EP disclosed
US-5852126-A Polymerisable composition and the use thereof NOVARTIS AG (CH) 1998-12-22 US disclosed
EP-0758361-A1 POLYMERISABLE COMPOSITON AND THE USE THEREOF Novartis AG (CH) 1997-02-19 EP disclosed
WO-1995029959-A1 POLYMERISABLE COMPOSITON AND THE USE THEREOF CIBA-GEIGY AG (CH) 1995-11-09 WO disclosed