SCHEMBL9620946

SCHEMBL9620946

C=CCCCCOCC(CO)(CO)COCCCCC=C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 2/20 0.40
LPAR2 Q9HBW0 1/20 0.40
ALDH1A1 P00352 3/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
SLC2A1 P11166 1/20 0.34
THRB P10828 1/20 0.33
LMNA P02545 1/20 0.32
ABCC4 O15439 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 2/20 0.32
PLA2G2C Q5R387 1/20 0.32

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
SCHEMBL23051178 0.90 ALDH1A1 (0.39) LPAR3LPAR2ALDH1A1TP53CYP3A4
SCHEMBL26002254 0.81 ALDH1A1 (0.42) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL19611878 0.79 LPAR3 (0.41) LPAR3LPAR2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL21984875 0.77 LPAR3 (0.34) LPAR3LPAR2TSHR
SCHEMBL37316 0.75 LPAR3 (0.48) LPAR3LPAR2ALDH1A1SLC2A1LMNA
SCHEMBL1354241 0.74 ALDH1A1 (0.37) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL11059555 0.74 ALDH1A1 (0.33) LPAR3LPAR2ALDH1A1LMNATSHR
SCHEMBL8897653 0.74 TSHR (0.48) LPAR3LPAR2ALDH1A1MAPK1SLC2A1
SCHEMBL8898421 0.74 LPAR3 (0.45) LPAR3LPAR2ALDH1A1MAPK1SLC2A1
SCHEMBL7261008 0.74 LPAR3 (0.45) LPAR3LPAR2ALDH1A1MAPK1SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0188324-B1 MAGNETIC COATING COMPRISING ELECTRON BEAM CURABLE POLYURETHANES MORTON INTERNATIONAL, INC. (US) 1992-04-01 EP disclosed
US-4695604-A Electron beam curable polyuethane polymers for magnetic tape applications MORTON THIOKOL, INC. (US) 1987-09-22 US disclosed
EP-0188324-A2 Magnetic coating comprising electron beam curable polyurethanes MORTON INTERNATIONAL, INC. (US) 1986-07-23 EP disclosed