SCHEMBL218747

SCHEMBL218747

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
MAPT P10636 3/20 0.51
LPAR2 Q9HBW0 3/20 0.47
LPAR3 Q9UBY5 3/20 0.47
LPAR1 Q92633 1/20 0.47
CYP3A4 P08684 3/20 0.44
F7 P08709 2/20 0.44
F3 P13726 2/20 0.44
CYP19A1 P11511 2/20 0.44
FFAR1 O14842 2/20 0.44
FFAR4 Q5NUL3 2/20 0.44
ALOX15 P16050 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
OXER1 Q8TDS5 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NR1I2 O75469 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL219935 1.00 ALDH1A1 (0.51) ALDH1A1MAPTLPAR2LPAR3LPAR1
SCHEMBL219934 1.00 ALDH1A1 (0.51) ALDH1A1MAPTLPAR2LPAR3LPAR1
SCHEMBL9712215 1.00 ALDH1A1 (0.51) ALDH1A1MAPTLPAR2LPAR3LPAR1
SCHEMBL27997376 1.00 ALDH1A1 (0.51) ALDH1A1MAPTLPAR2LPAR3LPAR1
SCHEMBL9712211 1.00 ALDH1A1 (0.51) ALDH1A1MAPTLPAR2LPAR3LPAR1
SCHEMBL218746 1.00 ALDH1A1 (0.51) ALDH1A1MAPTLPAR2LPAR3LPAR1
SCHEMBL9712216 1.00 ALDH1A1 (0.51) ALDH1A1MAPTLPAR2LPAR3LPAR1
SCHEMBL17017286 1.00 ALDH1A1 (0.51) ALDH1A1MAPTLPAR2LPAR3LPAR1
SCHEMBL13703356 0.98 ALDH1A1 (0.49) ALDH1A1MAPTLPAR2LPAR3LPAR1
SCHEMBL811564 0.98 ALDH1A1 (0.49) ALDH1A1MAPTLPAR2LPAR3LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088367-B2 Gall midge pheromone mixture PHERONET AB (SE) 2012-01-03 US claimed
US-20090274645-A1 GALL MIDGE PHEROMONE MIXTURE PHERONET AB (SE) 2009-11-05 US claimed
US-8088367-B2 Gall midge pheromone mixture PHERONET AB (SE) 2012-01-03 US disclosed
US-8088367-B2 Gall midge pheromone mixture PHERONET AB (SE) 2012-01-03 US disclosed
US-20090274645-A1 GALL MIDGE PHEROMONE MIXTURE PHERONET AB (SE) 2009-11-05 US disclosed
US-20090274645-A1 GALL MIDGE PHEROMONE MIXTURE PHERONET AB (SE) 2009-11-05 US disclosed
WO-2008063119-A1 GALL MIDGE PHEROMONE MIXTURE FORSKARPATENT I SYD AB (SE) 2008-05-29 WO disclosed
WO-2008063119-A1 GALL MIDGE PHEROMONE MIXTURE FORSKARPATENT I SYD AB (SE) 2008-05-29 WO disclosed