SCHEMBL11200210

SCHEMBL11200210

CCC/C=C/C(O)CCCC

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.53
BACE1 P56817 1/20 0.53
MAPT P10636 2/20 0.48
TRPA1 O75762 1/20 0.48
DDAH1 O94760 1/20 0.48
GAPDH P04406 1/20 0.48
PPARG P37231 2/20 0.44
GPR132 Q9UNW8 1/20 0.44
HDAC2 Q92769 1/20 0.42
LTB4R2 Q9NPC1 2/20 0.41
ALOX5 P09917 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LTB4R Q15722 1/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
KMT2A Q03164 1/20 0.41
SPHK2 Q9NRA0 2/20 0.41
SPHK1 Q9NYA1 2/20 0.41
CETP P11597 1/20 0.41

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
SCHEMBL11200212 1.00 ACHE (0.53) ACHEBACE1MAPTTRPA1DDAH1
SCHEMBL5677787 0.93 MAPT (0.57) ACHEBACE1MAPTTRPA1DDAH1
SCHEMBL5677791 0.93 MAPT (0.57) ACHEBACE1MAPTTRPA1DDAH1
SCHEMBL11857537 0.91 MAPT (0.55) ACHEBACE1MAPTTRPA1DDAH1
SCHEMBL11857531 0.91 MAPT (0.55) ACHEBACE1MAPTTRPA1DDAH1
SCHEMBL6137622 0.87 PPARG (0.57) MAPTTRPA1DDAH1GAPDHPPARG
SCHEMBL19628508 0.86 TAS1R3 (0.39) ACHEBACE1MAPTTRPA1DDAH1
SCHEMBL18669173 0.86 TAS1R3 (0.39) ACHEBACE1MAPTTRPA1DDAH1
SCHEMBL16689753 0.86 TAS1R3 (0.39) ACHEBACE1MAPTTRPA1DDAH1
SCHEMBL28131178 0.85 TRPA1 (0.44) ACHEBACE1MAPTTRPA1DDAH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0086945-A1 Alkenols, process for their preparation, their use as fragrances and flavouring compositions containing these alkenols L. GIVAUDAN & CIE Société Anonyme (CH) 1983-08-31 EP disclosed