SCHEMBL19628508

SCHEMBL19628508

CCC/C=C/[C@H](O)CCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
MAPT P10636 3/20 0.38
TRPA1 O75762 1/20 0.38
DDAH1 O94760 1/20 0.38
GAPDH P04406 1/20 0.38
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP3A4 P08684 1/20 0.35
SPHK2 Q9NRA0 4/20 0.35
SPHK1 Q9NYA1 4/20 0.35
CETP P11597 3/20 0.35
PPARG P37231 2/20 0.35
GPR132 Q9UNW8 1/20 0.35
HDAC2 Q92769 1/20 0.34
GMNN O75496 2/20 0.33
LMNA P02545 2/20 0.33
GLA P06280 2/20 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
SCHEMBL18669173 1.00 TAS1R3 (0.39) TAS1R3TAS1R1ACHEBACE1MAPT
SCHEMBL16689753 1.00 TAS1R3 (0.39) TAS1R3TAS1R1ACHEBACE1MAPT
SCHEMBL8185809 0.86 MEN1 (0.46) MAPTTRPA1DDAH1GAPDHMEN1
SCHEMBL11200212 0.86 ACHE (0.53) ACHEBACE1MAPTTRPA1DDAH1
SCHEMBL5868456 0.86 SPHK2 (0.37) MAPTTRPA1DDAH1GAPDHMEN1
SCHEMBL5868453 0.86 SPHK2 (0.37) MAPTTRPA1DDAH1GAPDHMEN1
SCHEMBL14334738 0.86 SPHK2 (0.37) TAS1R3TAS1R1ACHEBACE1MAPT
SCHEMBL11200210 0.86 ACHE (0.53) ACHEBACE1MAPTTRPA1DDAH1
SCHEMBL8185806 0.86 MEN1 (0.46) MAPTTRPA1DDAH1GAPDHMEN1
SCHEMBL11104502 0.84 ACHE (0.35) TAS1R3TAS1R1ACHEBACE1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170335355-A1 METHOD FOR PRODUCING OXO FATTY ACID AND RARE FATTY ACID KYOTO UNIVERSITY (JP) 2017-11-23 US disclosed
US-20170335355-A1 METHOD FOR PRODUCING OXO FATTY ACID AND RARE FATTY ACID KYOTO UNIVERSITY (JP) 2017-11-23 US disclosed