SCHEMBL8089121

SCHEMBL8089121

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

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.56
DDAH1 O94760 1/20 0.56
GAPDH P04406 1/20 0.56
MAPT P10636 1/20 0.56
ACHE P22303 1/20 0.51
BACE1 P56817 1/20 0.51
PPARG P37231 2/20 0.46
FPR2 P25090 2/20 0.46
GPR132 Q9UNW8 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
OXER1 Q8TDS5 1/20 0.46
LTB4R2 Q9NPC1 1/20 0.44
FFAR4 Q5NUL3 1/20 0.43
FFAR1 O14842 1/20 0.43
GPR84 Q9NQS5 1/20 0.42

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
SCHEMBL8090946 0.94 ACHE (0.58) TRPA1DDAH1GAPDHMAPTACHE
SCHEMBL8089112 0.86 ACHE (0.43) TRPA1DDAH1GAPDHMAPTACHE
SCHEMBL2494373 0.82 ACHE (0.68) TRPA1DDAH1GAPDHMAPTACHE
SCHEMBL2494371 0.82 ACHE (0.68) TRPA1DDAH1GAPDHMAPTACHE
SCHEMBL1786850 0.82 TRPA1 (0.58) TRPA1DDAH1GAPDHMAPTACHE
SCHEMBL2206650 0.82 MAPT (0.40) TRPA1DDAH1GAPDHMAPTFFAR1
SCHEMBL1786849 0.82 TRPA1 (0.58) TRPA1DDAH1GAPDHMAPTACHE
SCHEMBL7077273 0.81 ACHE (0.66) TRPA1DDAH1GAPDHMAPTACHE
SCHEMBL11572115 0.81 TRPA1 (0.56) TRPA1DDAH1GAPDHMAPTACHE
SCHEMBL8985063 0.81 ACHE (0.66) TRPA1DDAH1GAPDHMAPTACHE

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